SCHEMBL1078348

SCHEMBL1078348

COC(=O)OC1CCCC(OC(=O)OC(C)(C)C)C1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.40
SERPINE1 P05121 1/20 0.35
DGAT1 O75907 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
CACNA1B Q00975 5/20 0.33
GAA P10253 1/20 0.33
EPHX1 P07099 3/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM1A O60341 1/20 0.31
DPP4 P27487 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
CA12 O43570 1/20 0.31
CA14 Q9ULX7 1/20 0.31

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
SCHEMBL5676310 0.93 BTK (0.40) BTKSERPINE1CHRM2CHRM1CHRM3
SCHEMBL1078293 0.90 EPHX1 (0.42) BTKSERPINE1CHRM2CHRM1CHRM3
SCHEMBL1078770 0.87 SERPINE1 (0.42) SERPINE1CHRM2CHRM1CHRM3EPHX1
SCHEMBL1080312 0.85 DGAT1 (0.38) BTKDGAT1CHRM2CHRM1CHRM3
SCHEMBL1079203 0.85 BTK (0.34) BTKSERPINE1CHRM2CHRM1CHRM3
SCHEMBL26635790 0.85 BTK (0.39) BTKCHRM2CHRM1CHRM3CACNA1B
SCHEMBL13698876 0.83 RAB9A (0.37) BTKSERPINE1CHRM2CHRM1CHRM3
SCHEMBL1079013 0.82 ALDH1A1 (0.36) BTKSERPINE1CHRM2CHRM1CHRM3
SCHEMBL1078866 0.82 EPHX1 (0.47) SERPINE1EPHX1CA12
SCHEMBL1079926 0.82 RAB9A (0.34) BTKSERPINE1CHRM2CHRM1CHRM3

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-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-2011009672-A1 ADHESIVES AND SEALANTS CONTAINING CYCLOHEXANE POLYCARBOXYLIC ACID DERIVATIVES BASF SE (DE) 2011-01-27 WO 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
WO-2004081127-A1 PRINTING INKS COMPRISING CYCLOHEXANE POLYCARBOXYLIC ACID DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2004-09-23 WO disclosed