SCHEMBL1079728

SCHEMBL1079728

CCOC(=O)OC1CCC(OC(=O)OCC)C(OC(=O)OCC)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
SOAT1 P35610 1/20 0.40
CHRM2 P08172 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
CHRM4 P08173 1/20 0.33
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GAA P10253 2/20 0.32
INPP5A Q14642 1/20 0.32
ALOX15 P16050 1/20 0.31
MGAM O43451 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
ADRA1A P35348 1/20 0.31
CHRNA4 P43681 1/20 0.31
HTR3A P46098 1/20 0.31
KCNH2 Q12809 1/20 0.31
PPM1B O75688 1/20 0.31
PTPN1 P18031 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
SCHEMBL1078994 0.91 ALDH1A1 (0.39) ALDH1A1SOAT1CHRM2CHRM1CHRM3
SCHEMBL10344229 0.86 ALDH1A1 (0.52) ALDH1A1SOAT1CHRM2CHRM1CHRM3
SCHEMBL18660197 0.85 NAAA (0.40) ALDH1A1GAASMN1; SMN2
SCHEMBL2424477 0.84 ALDH1A1 (0.55) ALDH1A1SOAT1CHRM2CHRM1CHRM3
SCHEMBL1079055 0.83 MEN1 (0.39) ALDH1A1CHRM2CHRM1CHRM3CHRM4
SCHEMBL4640870 0.82
SCHEMBL1078049 0.82 ALDH1A1 (0.57) ALDH1A1SOAT1LMNAHSD17B10GAA
SCHEMBL2423736 0.81 ALDH1A1 (0.46) ALDH1A1SOAT1CHRM2CHRM1CHRM3
SCHEMBL1080848 0.81 INPP5A (0.33) INPP5A
SCHEMBL1080612 0.80 PKM (0.32) ALDH1A1CHRM2CHRM1CHRM3CHRM4

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 24 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-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
EP-1192212-B1 USE OF CYCLOHEXANE POLYCARBOXYLIC ACIDS AS PLASTICIZERS IN THE PRODUCTION OF PLASTICS WHICH ARE RATED TOXICOLOGICALLY FAVOURABLE BASF AG (DE) 2006-01-04 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
EP-1272033-B1 AGROTECHNICAL FORMULATION BASF AG (DE) 2004-06-09 EP disclosed
WO-2003064512-A1 SINGLE PIECE CLOSURE DEVICE MADE OF PVC BASF AKTIENGESELLSCHAFT (DE) 2003-08-07 WO disclosed
EP-1192212-A1 USE OF CYCLOHEXANE POLYCARBOXYLIC ACIDS AS PLASTICIZERS IN THE PRODUCTION OF PLASTICS WHICH ARE RATED TOXICOLOGICALLY FAVOURABLE BASF AKTIENGESELLSCHAFT (DE) 2002-04-03 EP disclosed
WO-2000078853-A1 USE OF CYCLOHEXANE POLYCARBOXYLIC ACIDS AS PLASTICIZERS IN THE PRODUCTION OF PLASTICS WHICH ARE RATED TOXICOLOGICALLY FAVOURABLE BASF AKTIENGESELLSCHAFT (DE) 2000-12-28 WO disclosed