SCHEMBL2919381

SCHEMBL2919381

CCCCCCC(OC(=O)c1ccc(C(=O)O)cc1)(C(C)C)C(C)C

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.51
TSHR P16473 1/20 0.51
PLA2G4B P0C869 6/20 0.50
RARB P10826 8/20 0.48
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
RARA P10276 1/20 0.47
MTOR P42345 1/20 0.47
KMT2A Q03164 1/20 0.47
PLA2G4A P47712 1/20 0.46

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
SCHEMBL3032498 0.91 CYP1A2 (0.47) TP53TSHRALDH1A1
SCHEMBL2822333 0.89 TP53 (0.47) TP53TSHRPLA2G4BRARBMAPT
SCHEMBL4401536 0.86 PLA2G4B (0.46) TP53TSHRPLA2G4BKMT2APLA2G4A
SCHEMBL18817713 0.85 TP53 (0.54) TP53TSHRPLA2G4BRARBMAPT
SCHEMBL17982633 0.82 TP53 (0.51) TP53TSHRPLA2G4BRARBMAPT
SCHEMBL27968723 0.82 TP53 (0.51) TP53TSHRPLA2G4BRARBMAPT
SCHEMBL4938672 0.82 TP53 (0.51) TP53TSHRPLA2G4BRARBMAPT
SCHEMBL966260 0.82 ALDH1A1 (0.60) TP53TSHRMEN1ALDH1A1KMT2A
SCHEMBL690294 0.81 TP53 (0.49) TP53TSHRPLA2G4BRARBMAPT
SCHEMBL6906427 0.77 MAPT (0.46) TP53TSHRPLA2G4BRARBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110914232-B Process for hydrogenating aromatic compounds 巴斯夫欧洲公司 2023-03-14 CN disclosed
CN-115353453-A Preparation method of dimethyl terephthalate 中国天辰工程有限公司 2022-11-18 CN disclosed
US-11203566-B2 Hydrogenation of aromatic compounds BASF SE (DE) 2021-12-21 US disclosed
US-20210032189-A1 HYDROGENATION OF AROMATIC COMPOUNDS BASF SE (DE) 2021-02-04 US disclosed
CN-109563309-B Plasticizer composition and resin composition comprising the same 株式会社LG化学 2020-11-03 CN disclosed
CN-110914232-A Process for hydrogenating aromatic compounds 巴斯夫欧洲公司 2020-03-24 CN disclosed
CN-110678524-A Coating agent composition comprising PVC and plasticizing component 巴斯夫欧洲公司 2020-01-10 CN disclosed
EP-2220154-B1 C7-C12 SECONDARY ALCOHOL ESTERS OF CYCLOHEXANOIC ACID EXXONMOBIL CHEM PATENTS INC (US) 2014-06-18 EP disclosed
US-8669311-B2 C7—C12 secondary alcohol esters of cyclohexanoic acid EXXONMOBIL CHEMICAL PATENTS INC. (US) 2014-03-11 US disclosed
US-8598060-B2 Method of regenerating ruthenium catalysts for the ring hydrogenation of phthalates BASF SE (DE) 2013-12-03 US disclosed
US-20100310891-A1 Compositions Based on C4-C7 Secondary Aliphatic Alcohol Esters of Cyclohexanecarboxylic Acids EXXONMOBIL CHEMICAL PATENTS INC. 2010-12-09 US disclosed
US-20100305250-A1 C7-C12 Secondary Alcohol Esters of Cyclohexanoic Acid EXXONMOBIL CHEMICAL PATENTS INC. 2010-12-02 US disclosed
EP-2220154-A1 C7-C12 SECONDARY ALCOHOL ESTERS OF CYCLOHEXANOIC ACID ExxonMobil Chemical Patents Inc. (US) 2010-08-25 EP disclosed
US-20090305869-A1 METHOD OF REGENERATING RUTHENIUM CATALYSTS FOR THE RING HYDROGENATION OF PHTHALATES BASF (DE) 2009-12-10 US disclosed
WO-2009070398-A1 C7-C12 SECONDARY ALCOHOL ESTERS OF CYCLOHEXANOIC ACID EXXONMOBIL CHEMICAL PATENTS INC. (US) 2009-06-04 WO disclosed
WO-2009070399-A1 COMPOSITIONS BASED ON C4-C7 SECONDARY ALIPHATIC ALCOHOL ESTERS OF CYCLOHEXANECARBOXYLIC ACIDS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2009-06-04 WO disclosed