SCHEMBL1080522

SCHEMBL1080522

CC(C)COC(=O)OC1CCC(OC(=O)OC2CCCCC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.46
HTT P42858 1/20 0.41
CYP19A1 P11511 1/20 0.41
NAAA Q02083 2/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
CYP2C19 P33261 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
TSHR P16473 2/20 0.35
MMP2 P08253 2/20 0.35
MMP9 P14780 2/20 0.35
ANPEP P15144 2/20 0.35
LTA4H P09960 1/20 0.35
LAP3 P28838 1/20 0.35
NPEPPS P55786 1/20 0.35
ERAP2 Q6P179 1/20 0.35
ERAP1 Q9NZ08 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL304317 0.96 EPHX1 (0.44) EPHX1HTTCYP19A1NAAARAB9A
SCHEMBL6896395 0.95 EPHX1 (0.42) EPHX1HTTCYP19A1NAAARAB9A
SCHEMBL1078072 0.92 EPHX1 (0.42) EPHX1HTTCYP19A1NAAARAB9A
SCHEMBL1078653 0.92 EPHX1 (0.42) EPHX1HTTCYP19A1NAAARAB9A
SCHEMBL27101965 0.91 RAB9A (0.41) EPHX1HTTCYP19A1NAAARAB9A
SCHEMBL1077354 0.91 TSHR (0.41) EPHX1HTTCYP19A1RAB9ASMN1; SMN2
SCHEMBL1077365 0.89 RAB9A (0.37) EPHX1HTTRAB9ASMN1; SMN2TSHR
SCHEMBL1080683 0.86 ALDH1A1 (0.43) EPHX1NAAARAB9ASMN1; SMN2L3MBTL1
SCHEMBL1081103 0.84 RAB9A (0.40) EPHX1HTTCYP19A1NAAARAB9A
SCHEMBL17921038 0.84 EPHX1 (0.43) EPHX1HTTCYP19A1NAAACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1603982-B1 PRINTING INKS COMPRISING CYCLOHEXANE POLYCARBOXYLIC ACID DERIVATIVES BASF SE (DE) 2017-01-25 EP disclosed
EP-2576674-B1 PROCESS FOR MAKING EXPANDABLE COMPOSITIONS BASED ON STYRENEPOLYMER BASF SE (DE) 2014-08-27 EP disclosed
EP-2362861-B1 USE OF CYCLOHEXANE POLYCARBOXYLIC ACID DERIVATIVES FOR REMOVING DUST FROM CHEMICAL CONSTRUCTION PRODUCTS CONSTR RES & TECH GMBH (DE) 2014-05-07 EP disclosed
EP-2456840-B1 ADHESIVES AND SEALANTS WHICH CONTAIN CYCLOHEXANE DICARBOXYLIC ACID ESTERS BASF SE (DE) 2013-07-17 EP disclosed
EP-2576674-A1 METHOD FOR PRODUCING EXPANDABLE STYRENE POLYMER COMPOSITIONS BASF SE (DE) 2013-04-10 EP disclosed
EP-2370374-B1 USE OF POLYOLS AND CYCLOHEXANE POLYCARBOXYLIC ACID DERIVATIVES FOR THE REMOVAL OF DUST FROM CHEMICAL CONSTRUCTION PRODUCTS CONSTR RES & TECH GMBH (DE) 2012-11-14 EP disclosed
EP-2456840-A1 ADHESIVES AND SEALANTS CONTAINING CYCLOHEXANE POLYCARBOXYLIC ACID DERIVATIVES BASF SE (DE) 2012-05-30 EP disclosed
EP-2370374-A1 USE OF POLYOLS AND CYCLOHEXANE POLYCARBOXYLIC ACID DERIVATIVES FOR THE REMOVAL OF DUST FROM CHEMICAL CONSTRUCTION PRODUCTS Construction Research & Technology GmbH (DE) 2011-10-05 EP disclosed
EP-2362861-A1 USE OF CYCLOHEXANE POLYCARBOXYLIC ACID DERIVATIVES FOR REMOVING DUST FROM CHEMICAL CONSTRUCTION PRODUCTS Construction Research & Technology GmbH (DE) 2011-09-07 EP disclosed
WO-2011009672-A1 ADHESIVES AND SEALANTS CONTAINING CYCLOHEXANE POLYCARBOXYLIC ACID DERIVATIVES BASF SE (DE) 2011-01-27 WO disclosed
WO-2010060659-A1 USE OF POLYOLS AND CYCLOHEXANE POLYCARBOXYLIC ACID DERIVATIVES FOR THE REMOVAL OF DUST FROM CHEMICAL CONSTRUCTION PRODUCTS CONSTRUCTION RESEARCH & TECHNOLOGY GMBH (DE) 2010-06-03 WO disclosed
WO-2010028870-A1 USE OF CYCLOHEXANE POLYCARBOXYLIC ACID DERIVATIVES FOR REMOVING DUST FROM CHEMICAL CONSTRUCTION PRODUCTS CONSTRUCTION RESEARCH & TECHNOLOGY GMBH (DE) 2010-03-18 WO disclosed
EP-1472312-B1 SINGLE PIECE CLOSURE DEVICE MADE OF PVC BASF AG (DE) 2006-11-15 EP disclosed
EP-1603982-A1 PRINTING INKS COMPRISING CYCLOHEXANE POLYCARBOXYLIC ACID DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2005-12-14 EP disclosed
WO-2004098547-A1 COSMETIC COMPOSITIONS COMPRISING CYCLOHEXANEPOLYCARBOXYLIC ACID DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2004-11-18 WO disclosed
EP-1475071-A1 Cosmetic compositions comprising cyclohexanepolycarboxylic acid derivatives BASF AKTIENGESELLSCHAFT (DE) 2004-11-10 EP disclosed
EP-1472312-A1 SINGLE PIECE CLOSURE DEVICE MADE OF PVC BASF AKTIENGESELLSCHAFT (DE) 2004-11-03 EP disclosed
WO-2004081127-A1 PRINTING INKS COMPRISING CYCLOHEXANE POLYCARBOXYLIC ACID DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2004-09-23 WO disclosed
WO-2003064512-A1 SINGLE PIECE CLOSURE DEVICE MADE OF PVC BASF AKTIENGESELLSCHAFT (DE) 2003-08-07 WO disclosed