SCHEMBL1077870

SCHEMBL1077870

CC(C)COC(=O)OC1CCCCC1OC(=O)OC(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
NFKB1 P19838 1/20 0.36
PTGS1 P23219 1/20 0.36
APEX1 P27695 1/20 0.36
THPO P40225 1/20 0.36
PMP22 Q01453 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
ALDH1A1 P00352 2/20 0.34
TSHR P16473 3/20 0.33
HSD11B1 P28845 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM1 P11229 1/20 0.33

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
SCHEMBL1080863 0.92 RAB9A (0.41) RAB9AMEN1KMT2ALMNACYP3A4
SCHEMBL10344096 0.90 APOBEC3A (0.41) RAB9AMEN1KMT2ALMNACYP3A4
SCHEMBL10343948 0.90 APOBEC3A (0.41) RAB9AMEN1KMT2ALMNACYP3A4
SCHEMBL1078439 0.87 RAB9A (0.39) RAB9AMEN1KMT2ALMNACYP3A4
SCHEMBL1076680 0.86 TSHR (0.37) MEN1KMT2AAPOBEC3AAPOBEC3GALDH1A1
SCHEMBL1079818 0.85 ALDH1A1 (0.39) MEN1KMT2AAPOBEC3AAPOBEC3GALDH1A1
SCHEMBL1077583 0.85 ALDH1A1 (0.39) RAB9AMEN1KMT2ALMNACYP3A4
SCHEMBL1079979 0.84 APOBEC3A (0.34) RAB9AMEN1KMT2ATDP1APOBEC3A
SCHEMBL1078897 0.83 RAB9A (0.36) RAB9AMEN1KMT2ALMNACYP3A4
SCHEMBL2466671 0.83 RAB9A (0.36) RAB9AMEN1KMT2ALMNACYP3A4

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 15 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-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-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
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-2003064512-A1 SINGLE PIECE CLOSURE DEVICE MADE OF PVC BASF AKTIENGESELLSCHAFT (DE) 2003-08-07 WO disclosed