Allylbenzene

Allylbenzene

SCHEMBL254037

C=CCc1ccccc1.CNC.Cl

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Allylbenzene. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB known ✓ P27338 1/20 0.48
SLC18A2 known ✓ Q05940 1/20 0.39
SIGMAR1 known ✓ Q99720 1/20 0.39
CYP3A4 P08684 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
TP53 P04637 2/20 0.47
ALDH1A1 P00352 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
ALOX12 P18054 1/20 0.47
CNR2 P34972 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CALM1 P0DP23 1/20 0.42
TAAR1 Q96RJ0 3/20 0.41
ATM Q13315 2/20 0.41
LMNA P02545 1/20 0.39
CYP2D6 P10635 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Allylbenzene SCHEMBL28162046 0.98 CYP3A4 (0.46) CYP3A4KDM4EMAPTMAOBSMN1; SMN2
Allylbenzene SCHEMBL18550554 0.98 MAOB (0.50) CYP3A4KDM4EMAPTMAOBSMN1; SMN2
Allylbenzene SCHEMBL28033453 0.91 MAOB (0.57) CYP3A4KDM4EMAPTMAOBSMN1; SMN2
Allylbenzene SCHEMBL5697714 0.91 MAOB (0.57) CYP3A4KDM4EMAPTMAOBSMN1; SMN2
Allylbenzene SCHEMBL1648511 0.88 MAOB (0.50) CYP3A4KDM4EMAPTMAOBSMN1; SMN2
Allylbenzene SCHEMBL5940129 0.88 MAOB (0.55) CYP3A4KDM4EMAPTMAOBSMN1; SMN2
Allylbenzene SCHEMBL28198945 0.88 MAOB (0.55) CYP3A4KDM4EMAPTMAOBSMN1; SMN2
Allylbenzene SCHEMBL21274 0.88
Allylbenzene SCHEMBL2478260 0.88 MAOB (0.60) CYP3A4KDM4EMAPTMAOBSMN1; SMN2
Allylbenzene SCHEMBL10325179 0.88 MAOB (0.60) CYP3A4KDM4EMAPTMAOBSMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 218 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230305412-A1 TONER, TONER PRODUCTION METHOD, TONER STORAGE UNIT, IMAGE FORMING APPARATUS, AND IMAGE FORMING METHOD RICOH COMPANY, LTD (JP) 2023-09-28 US disclosed
US-20230273540-A1 TONER CANON KABUSHIKI KAISHA (JP) 2023-08-31 US disclosed
US-20230258922-A1 DISPLAY APPARATUS AND INITIAL SETTING METHOD FOR DISPLAY APPARATUS Sony Group Corporation (JP) 2023-08-17 US disclosed
US-11656459-B2 Display apparatus with a glasses type frame and an image display device SONY CORPORATION (JP) 2023-05-23 US disclosed
CN-115453833-A Toner and image forming apparatus 佳能株式会社 2022-12-09 CN disclosed
CN-107239015-B Carrier for two-component developer, and method for producing carrier 富士胶片商业创新有限公司 2022-11-01 CN disclosed
EP-4011980-A1 ORGANOHYDROGEN POLYSILOXANE EMULSION AND ADDITION-CURABLE SILICONE EMULSION COMPOSITION USING SAME Shin-Etsu Chemical Co., Ltd. (JP) 2022-06-15 EP disclosed
US-11333878-B2 Display apparatus and initial setting method for display apparatus SONY CORPORATION (JP) 2022-05-17 US disclosed
CN-114442446-A Toner and image forming apparatus 佳能株式会社 2022-05-06 CN disclosed
US-11112714-B2 Toner CANON KABUSHIKI KAISHA (JP) 2021-09-07 US disclosed
US-5998078-A Method of preparing toner for electrostatic charge image development, toner for electrostatic charge image development, electrostatic charge image developer, and image forming method FUJI XEROX CO., LTD. (JP) 1999-12-07 US disclosed
EP-0573978-B1 Bath additive composition comprising surfactant-containing seamless capsules and method for producing the capsules. KAO CORP (JP) 1999-04-21 EP disclosed
US-5888687-A AGGREGATION OF PARTICLES IN RESIN DISPERSION FUJI XEROX CO., LTD. (JP) 1999-03-30 US disclosed
US-5849456-A Toner for developing electrostatic charge image, production method thereof, and image formation method FUJI XEROX CO., LTD. (JP) 1998-12-15 US disclosed
US-5607910-A HEXAGONAL LIQUID CRYSTAL PHASE PROCTER & GAMBLE COMPANY 1997-03-04 US disclosed
US-5385737-A Comprising an inner layer and a film outer layer, inner layer having a liquid of an oily component and nonionic surfactant excellent in emulsification and dispersion in water KAO CORPORATION (JP) 1995-01-31 US disclosed
EP-0573978-A1 Surfactant-containing seamless capsules KAO CORPORATION (JP) 1993-12-15 EP disclosed
EP-0153857-B1 DETERGENT COMPOSITIONS UNILEVER N.V. (NL) 1988-09-21 EP disclosed
US-4615819-A SULFONATES, SULFOSUCCINATES, ETHER SULFATES, UREA, BUILDERS-DISHES AND FABRICS LEVER BROTHERS COMPANY (US) 1986-10-07 US disclosed
EP-0153857-A2 Detergent compositions UNILEVER N.V. (NL) 1985-09-04 EP disclosed