SCHEMBL6446864

SCHEMBL6446864

CCCCCCCc1ccc(C(=O)O)c(CCCCCCC)c1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BID P55957 6/20 0.57
MCL1 Q07820 6/20 0.57
PPARA Q07869 5/20 0.57
BCL2L1 Q07817 5/20 0.57
BAK1 Q16611 5/20 0.57
KAT8 Q9H7Z6 3/20 0.57
PPARG P37231 3/20 0.57
SAE1 Q9UBE0 2/20 0.57
EP300 Q09472 2/20 0.57
KAT5 Q92993 2/20 0.57
KAT2A Q92830 1/20 0.57
KAT2B Q92831 1/20 0.57
F7 P08709 3/20 0.50
F3 P13726 3/20 0.50
MMP2 P08253 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MAPT P10636 1/20 0.50
ALOX15 P16050 1/20 0.50
ECE1 P42892 1/20 0.50
SGMS1 Q86VZ5 1/20 0.50

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
SCHEMBL2370160 1.00 BID (0.57) BIDMCL1PPARABCL2L1BAK1
SCHEMBL14836277 1.00 BID (0.57) BIDMCL1PPARABCL2L1BAK1
SCHEMBL2370706 1.00 BID (0.57) BIDMCL1PPARABCL2L1BAK1
SCHEMBL1681518 1.00 BID (0.57) BIDMCL1PPARABCL2L1BAK1
SCHEMBL11594644 1.00 BID (0.57) BIDMCL1PPARABCL2L1BAK1
SCHEMBL6446413 1.00 BID (0.57) BIDMCL1PPARABCL2L1BAK1
SCHEMBL14836645 1.00 BID (0.57) BIDMCL1PPARABCL2L1BAK1
SCHEMBL6444123 1.00 BID (0.57) BIDMCL1PPARABCL2L1BAK1
SCHEMBL6445743 0.98 BID (0.55) BIDMCL1PPARABCL2L1BAK1
SCHEMBL10936475 0.94 PPARA (0.50) BIDMCL1PPARABCL2L1BAK1

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