SCHEMBL6444648

SCHEMBL6444648

CCCCC(C)(C)Cc1ccc(C(=O)O)c(CC(C)(C)CCCC)c1C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.35
BID P55957 3/20 0.35
MCL1 Q07820 3/20 0.35
KAT8 Q9H7Z6 3/20 0.35
BCL2L1 Q07817 2/20 0.35
BAK1 Q16611 2/20 0.35
PPARG P37231 2/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35
GABRA4 P48169 1/20 0.35
GABRE P78334 1/20 0.35
GABRA6 Q16445 1/20 0.35

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
SCHEMBL233439 0.89 PPARA (0.35) PPARABIDMCL1KAT8BCL2L1
SCHEMBL235065 0.84 PPARA (0.37) PPARABIDMCL1KAT8BCL2L1
SCHEMBL724440 0.81 PPARA (0.46) PPARABIDMCL1KAT8BCL2L1
SCHEMBL724439 0.81 PPARA (0.43) PPARABIDMCL1KAT8BCL2L1
SCHEMBL21771814 0.81 BID (0.44) PPARABIDMCL1KAT8BCL2L1
SCHEMBL6347998 0.79 KDM4E (0.37) PPARABIDMCL1KAT8BCL2L1
SCHEMBL21771823 0.77 BID (0.47) PPARABIDMCL1KAT8BCL2L1
SCHEMBL9577377 0.75
SCHEMBL6357365 0.75 BRS3 (0.36) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL31269 0.74 BID (0.49) PPARABIDMCL1KAT8BCL2L1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1194396-B1 SELECTED CYCLOHEXANE-1,3- AND 1,4-DICARBOXYLIC ACID ESTERS BASF AG (DE) 2005-11-09 EP claimed
EP-1194396-A1 SELECTED CYCLOHEXANE-1,3- AND 1,4-DICARBOXYLIC ACID ESTERS BASF AKTIENGESELLSCHAFT (DE) 2002-04-10 EP claimed
WO-2000078704-A1 SELECTED CYCLOHEXANE-1,3- AND 1,4-DICARBOXYLIC ACID ESTERS BASF AKTIENGESELLSCHAFT (DE) 2000-12-28 WO claimed
EP-1194396-B1 SELECTED CYCLOHEXANE-1,3- AND 1,4-DICARBOXYLIC ACID ESTERS BASF AG (DE) 2005-11-09 EP disclosed
EP-1194396-A1 SELECTED CYCLOHEXANE-1,3- AND 1,4-DICARBOXYLIC ACID ESTERS BASF AKTIENGESELLSCHAFT (DE) 2002-04-10 EP disclosed
WO-2000078704-A1 SELECTED CYCLOHEXANE-1,3- AND 1,4-DICARBOXYLIC ACID ESTERS BASF AKTIENGESELLSCHAFT (DE) 2000-12-28 WO disclosed