SCHEMBL1079684

SCHEMBL1079684

CC(C)CCCCCOC(=O)OC1CCC(OC(=O)OCC(C)C)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 3/20 0.34
AKT2 P31751 3/20 0.34
AKT3 Q9Y243 3/20 0.34
ESR1 P03372 1/20 0.32
SPHK2 Q9NRA0 1/20 0.32
SPHK1 Q9NYA1 1/20 0.32
RAB9A P51151 1/20 0.32
PIK3R1 P27986 1/20 0.32
PIK3CA P42336 1/20 0.32
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
NFKB1 P19838 1/20 0.31
PTGS1 P23219 1/20 0.31
APEX1 P27695 1/20 0.31
THPO P40225 1/20 0.31
PMP22 Q01453 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL1079121 1.00 AKT1 (0.34) AKT1AKT2AKT3ESR1SPHK2
SCHEMBL2424636 1.00 AKT1 (0.34) AKT1AKT2AKT3ESR1SPHK2
SCHEMBL1077281 1.00 AKT1 (0.34) AKT1AKT2AKT3ESR1SPHK2
SCHEMBL1080183 1.00 AKT1 (0.34) AKT1AKT2AKT3ESR1SPHK2
SCHEMBL1079753 1.00 AKT1 (0.34) AKT1AKT2AKT3ESR1SPHK2
SCHEMBL1079973 0.98 AKT1 (0.33) AKT1AKT2AKT3ESR1SPHK2
SCHEMBL1078608 0.94 RAB9A (0.33) AKT1AKT2AKT3RAB9AMEN1
SCHEMBL1078831 0.94 ESR1 (0.34) AKT1AKT2AKT3ESR1LMNA
SCHEMBL1079884 0.94 ESR1 (0.34) AKT1AKT2AKT3ESR1LMNA
SCHEMBL1078786 0.94 ESR1 (0.34) AKT1AKT2AKT3ESR1LMNA

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