SCHEMBL779884

SCHEMBL779884

CCCCC(CC)CC1(C(=O)O)CCC(C(=O)O)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.37
ALDH1A1 P00352 4/20 0.36
TSHR P16473 4/20 0.35
TDP1 Q9NUW8 3/20 0.35
CYP3A4 P08684 3/20 0.35
ATM Q13315 1/20 0.35
MAPK1 P28482 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
MMP14 P50281 1/20 0.34
GRM2 Q14416 2/20 0.32
GRM3 Q14832 2/20 0.32
GRM4 Q14833 2/20 0.32
CYP1A2 P05177 1/20 0.32
ALOX15 P16050 1/20 0.32
CYP2C19 P33261 1/20 0.32
GRM8 O00222 1/20 0.32
GRM6 O15303 1/20 0.32
LMNA P02545 1/20 0.32
GRM5 P41594 1/20 0.32

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
SCHEMBL30538382 0.86 CA2 (0.44) CA2ALDH1A1TSHRTDP1CYP3A4
SCHEMBL10523972 0.86 CA2 (0.44) CA2ALDH1A1TSHRTDP1CYP3A4
SCHEMBL29580208 0.84 CYP3A4 (0.36) CA2ALDH1A1TSHRTDP1CYP3A4
SCHEMBL16908421 0.82 CYP2C19 (0.42) CA2ALDH1A1TSHRTDP1CYP3A4
SCHEMBL29829743 0.79 CYP3A4 (0.45) CA2ALDH1A1TSHRTDP1CYP3A4
SCHEMBL4458916 0.79 CA2 (0.34) CA2ALDH1A1TSHRTDP1CYP3A4
SCHEMBL9106841 0.77 ACE2 (0.35) LMNA
SCHEMBL8976650 0.77 LMNA (0.38) ALDH1A1TSHRTDP1GRM2GRM3
SCHEMBL2229712 0.76 CA2 (0.32) CA2ALDH1A1TSHRTDP1CYP3A4
SCHEMBL30538381 0.76 CA2 (0.32) CA2ALDH1A1TSHRTDP1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118812746-A Methanol-free organic peroxide emulsions 诺力昂化学品国际有限公司 2024-10-22 CN disclosed
CN-116635467-A Plasticizer composition 韩华思路信(株) 2023-08-22 CN disclosed
CN-110914232-B Process for hydrogenating aromatic compounds 巴斯夫欧洲公司 2023-03-14 CN disclosed
CN-111315479-A Catalyst for hydrogenation reaction of aromatic compound and method for producing the same 韩华化学株式会社 2020-06-19 CN disclosed
CN-110914232-A Process for hydrogenating aromatic compounds 巴斯夫欧洲公司 2020-03-24 CN disclosed
US-20120071598-A1 Plasticised Polyvinyl Chloride EXXONMOBIL CHEMICAL PATENTS INC. 2012-03-22 US disclosed
EP-2344443-A2 METHOD OF PREPARING OF 60% OR MORE CIS-DI(C4-C20)ALKYL CYCLOHEXANE-1,4-DICARBOXYLATE Hanwha Chemical Corporation (KR) 2011-07-20 EP disclosed
WO-2010044638-A2 METHOD OF PREPARING OF 60% OR MORE CIS-DI(C4-C20)ALKYL CYCLOHEXANE-1,4-DICARBOXYLATE HANWHA CHEMICAL CORPORATION (KR) 2010-04-22 WO disclosed
US-7413813-B2 Plasticised polyvinyl chloride EXXONMOBIL CHEMICAL PATENTS INC. (US) 2008-08-19 US disclosed
US-20070293646-A1 Plasticised Polyvinyl Chloride EXXONMOBILE CHEMICAL PATENTS INC. 2007-12-20 US disclosed