Nonanoate

Nonanoate

SCHEMBL4152676

CCCCCCCCC(=O)O.Cl

nearest known ligand 0.94

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 Nonanoate. 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
PPARG known ✓ P37231 7/20 0.94
HDAC11 known ✓ Q96DB2 5/20 0.94
ESR1 known ✓ P03372 1/20 0.94
PDE4A known ✓ P27815 1/20 0.94
PDE3A known ✓ Q14432 1/20 0.94
GPR84 Q9NQS5 7/20 0.94
PPARD Q03181 7/20 0.94
PPARA Q07869 7/20 0.94
TSHR P16473 4/20 0.94
PTPN1 P18031 3/20 0.94
FABP4 P15090 3/20 0.94
ALDH1A1 P00352 2/20 0.94
TLR2 O60603 2/20 0.94
TDP1 Q9NUW8 2/20 0.94
KMT2A Q03164 2/20 0.94
ALOX15 P16050 2/20 0.94
HSD17B10 Q99714 2/20 0.94
SLC22A6 Q4U2R8 1/20 0.94
SLC22A8 Q8TCC7 1/20 0.94
MEN1 O00255 1/20 0.94

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
Palmitic Acid SCHEMBL7556500 1.00 GPR84 (0.94) GPR84PPARGPPARDPPARAHDAC11
Lignoceric Acid SCHEMBL3674713 1.00 GPR84 (0.94) GPR84PPARGPPARDPPARAHDAC11
Pentadecanoic Acid SCHEMBL6712161 1.00 GPR84 (0.94) GPR84PPARGPPARDPPARAHDAC11
Heptanoate SCHEMBL19994751 1.00 GPR84 (0.94) GPR84PPARGPPARDPPARAHDAC11
Nonanoate SCHEMBL20572899 1.00 GPR84 (0.94) GPR84PPARGPPARDPPARAHDAC11
Dodecanoate SCHEMBL23581128 1.00 GPR84 (0.94) GPR84PPARGPPARDPPARAHDAC11
Tridecanoate SCHEMBL1994545 1.00 GPR84 (0.94) GPR84PPARGPPARDPPARAHDAC11
Palmitic Acid SCHEMBL539137 1.00 GPR84 (0.94) GPR84PPARGPPARDPPARAHDAC11
Heneicosanoic Acid SCHEMBL7907716 1.00 GPR84 (0.94) GPR84PPARGPPARDPPARAHDAC11
Behenic Acid SCHEMBL926255 1.00 GPR84 (0.94) GPR84PPARGPPARDPPARAHDAC11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108707151-B Pyrimido-pyridazinone compounds and uses thereof 阿萨纳生物科技有限责任公司 2022-06-03 CN claimed
CN-110049985-B Heterocyclic sulfones as ROR gamma modulators 百时美施贵宝公司 2022-05-31 CN claimed
CN-110049985-A HETEROCYCLIC SULFONES AS ROR GAMMA MODULATORS 百时美施贵宝公司 2019-07-23 CN claimed
CN-108601785-A Purposes of the pyrimido pyridazinone in treating cancer 阿沙纳生物科学公司 2018-09-28 CN claimed
CN-103974955-B Pyrimido-pyridazinone compounds and uses thereof 阿萨纳生物科技有限责任公司 2018-06-19 CN claimed
CN-103974955-A Pyrimido-pyridazinone compounds and uses thereof ENDO PHARMACEUTICALS INC 2014-08-06 CN claimed
EP-2748166-A1 PYRIMIDO- PYRIDAZINONE COMPOUNDS AND USE THEREOF Endo Pharmaceuticals Inc. (US) 2014-07-02 EP claimed
WO-2013028818-A1 PYRIMIDO- PYRIDAZINONE COMPOUNDS AND USE THEREOF ENDO PHARMACEUTICALS INC. (US) 2013-02-28 WO claimed
CN-1752076-A Preparation method of 2-azabicyclo[3,3,0] octane-1-carboxylic acid hydrochloride UNIV ZHEJIANG POLYTECHNIC (CN) 2006-03-29 CN claimed
US-4272502-A Process for preparing gaseous hydrogen chloride from dilute aqueous hydrochloric acid CHEMISCHE WERKE HULS AKTIENGESELLSCHAFT (DE) 1981-06-09 US claimed
JP-4036201-A None JP disclosed
EP-4562014-A2 CDK2 INHIBITORS AND METHODS OF USING THE SAME Cedilla Therapeutics, Inc. (US) 2025-06-04 EP disclosed
CN-119730951-A Method for producing microparticles 巴斯夫欧洲公司 2025-03-28 CN disclosed
US-20240343956-A1 TACKY AGENT-FORMING COMPOSITION AND PRODUCTION METHOD THEREOF, AND TACKY AGENT COMPOSITION DEXERIALS CORPORATION (JP) 2024-10-17 US disclosed
CN-112204008-B Sulfonylaminobenzamides and sulfonylaminobenzamide derivatives 奥索生物公司 2024-07-05 CN disclosed
US-4191770-A ANTIULCER AGENTS, ANTISECRETORY AGENTS KALI-CHEMIE PHARMA GMBH (DE) 1980-03-04 US disclosed
US-4189486-A FUNGICIDES CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 1980-02-19 US disclosed
US-4053431-A DIELECTRICS IN ELECTRO-OPTICAL DEVICES HOFFMANN-LA ROCHE INC. (US) 1977-10-11 US disclosed
US-4038247-A STABILIZING POLYOLEFINS WITH DIACYL DIHYDRAZIDES CIBA-GEIGY CORPORATION (US) 1977-07-26 US disclosed
US-3952046-A P-ALKANOYLOXY OR ALKOXYCARBONYLOXY-P*-CYANO-, DIELECTRICS HOFFMANN-LA ROCHE INC. (US) 1976-04-20 US disclosed