Acrylic Acid

Acrylic Acid

SCHEMBL4120967

C=CC(=O)[O-].C=CC[N+](C)(C)CC=C.C=CC[N+](C)(C)CC=C.Cl.N.[Cl-]

nearest known ligand 0.52

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 Acrylic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BCHE known ✓ P06276 2/20 0.31
ACHE known ✓ P22303 2/20 0.31
BBOX1 O75936 3/20 0.52
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
BLM P54132 1/20 0.31
ALDH1A1 P00352 2/20 0.30
TSHR P16473 1/20 0.30

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
Acrylic Acid SCHEMBL11323113 0.96 BBOX1 (0.55) BBOX1KMT2AATMBCHEACHE
Acrylic Acid SCHEMBL578283 0.96 BBOX1 (0.55) BBOX1KMT2AATMBCHEACHE
Acrylic Acid SCHEMBL4148615 0.94 BBOX1 (0.53) BBOX1KMT2AATMBCHEACHE
Acrylic Acid SCHEMBL2526435 0.94 BBOX1 (0.57) BBOX1KMT2AATMBCHEACHE
Acrylic Acid SCHEMBL7039733 0.92 BBOX1 (0.52) BBOX1KMT2AATMBCHEACHE
Acrylic Acid SCHEMBL6467069 0.90 BBOX1 (0.50) BBOX1KMT2AATMBCHEACHE
Acrylic Acid SCHEMBL577496 0.90 BBOX1 (0.50) BBOX1KMT2AATMBCHEACHE
Acrylic Acid SCHEMBL3247699 0.88 BBOX1 (0.49) BBOX1KMT2AATMALDH1A1TSHR
Acrylic Acid SCHEMBL626059 0.88 BBOX1 (0.49) BBOX1KMT2AATMALDH1A1TSHR
Acrylic Acid SCHEMBL1251542 0.88 BBOX1 (0.49) BBOX1KMT2AATMALDH1A1TSHR

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8920576-B2 Methods of removing stains and machine dishwashing methods HENKEL AG & CO. KGAA (DE) 2014-12-30 US disclosed
US-20130146101-A1 DETERGENTS HENKEL AG & CO. KGAA (DE) 2013-06-13 US disclosed
US-20090239778-A1 Cleaning Agent HENKEL KGAA (DE) 2009-09-24 US disclosed
US-20090165821-A1 Detergents HENKEL KGAA (DE) 2009-07-02 US disclosed
US-7462588-B2 Dishwasher detergents comprising a specific polymer mixture HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2008-12-09 US disclosed
US-7424891-B2 Detergents HENKEL AG & CO. KGAA (DE) 2008-09-16 US disclosed
US-20070054828-A1 Detergents HENKEL KGAA (DE) 2007-03-08 US disclosed
US-20070054829-A1 Detergents HENKEL KGAA (DE) 2007-03-08 US disclosed
US-20060223734-A1 Dishwasher detergents comprising a specific polymer mixture HENKEL AG & CO. KGAA (DE) 2006-10-05 US disclosed