SCHEMBL1079045

SCHEMBL1079045

CCCCC(CC)COC(=O)OC1CCC(OC(=O)OCC(C)C)CC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.50
TSHR P16473 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
ATM Q13315 1/20 0.50
ALDH1A1 P00352 7/20 0.45
CA2 P00918 4/20 0.45
RECQL P46063 1/20 0.43
LMNA P02545 3/20 0.41
MAPK1 P28482 3/20 0.40
HSD17B10 Q99714 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP14 P50281 1/20 0.39
CA1 P00915 1/20 0.34

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
SCHEMBL1080430 0.94 CYP3A4 (0.55) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL1079865 0.92 CYP3A4 (0.53) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL1079881 0.91 CYP3A4 (0.47) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL1079937 0.90 CYP3A4 (0.51) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL1078237 0.90 CYP3A4 (0.46) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL1078903 0.90 CYP3A4 (0.46) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL1079155 0.89 CYP3A4 (0.48) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL1080545 0.89 CYP3A4 (0.50) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL1078531 0.89 CYP3A4 (0.45) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL2423667 0.88 CYP3A4 (0.49) CYP3A4TSHRTDP1ATMALDH1A1

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 21 patents — showing the first 20. 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-2373716-A1 CYCLOHEXANE POLYCARBOXYLIC ACID DERIVATIVES AS PLASTICIZERS FOR ADHESIVES AND SEALANTS BASF SE (DE) 2011-10-12 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-2010063740-A1 CYCLOHEXANE POLYCARBOXYLIC ACID DERIVATIVES AS PLASTICIZERS FOR ADHESIVES AND SEALANTS BASF SE (DE) 2010-06-10 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