SCHEMBL5136122

SCHEMBL5136122

CCCCCCc1ccc(C(=O)O)c(C)c1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT8 Q9H7Z6 4/20 0.49
BID P55957 3/20 0.49
MCL1 Q07820 3/20 0.49
PPARA Q07869 3/20 0.49
BCL2L1 Q07817 2/20 0.49
BAK1 Q16611 2/20 0.49
PPARG P37231 2/20 0.49
SAE1 Q9UBE0 2/20 0.49
EP300 Q09472 1/20 0.49
KAT2A Q92830 1/20 0.49
KAT2B Q92831 1/20 0.49
KAT5 Q92993 1/20 0.49
RARB P10826 3/20 0.48
TYR P14679 1/20 0.46
GABRP O00591 2/20 0.46
GABRD O14764 2/20 0.46
GABRA1 P14867 2/20 0.46
GABRB1 P18505 2/20 0.46
GABRG2 P18507 2/20 0.46
GABRB3 P28472 2/20 0.46

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
SCHEMBL14645638 0.88 PPARA (0.49) KAT8BIDMCL1PPARABCL2L1
SCHEMBL14645884 0.86 PPARA (0.47) KAT8BIDMCL1PPARABCL2L1
SCHEMBL5431958 0.86 PPARA (0.53) KAT8BIDMCL1PPARABCL2L1
SCHEMBL29144911 0.86 KAT8 (0.49) KAT8BIDMCL1PPARABCL2L1
SCHEMBL27799042 0.85 PPARA (0.49) KAT8BIDMCL1PPARABCL2L1
SCHEMBL27538637 0.85 BID (0.56) KAT8BIDMCL1PPARABCL2L1
SCHEMBL10435402 0.85 PPARA (0.49) KAT8BIDMCL1PPARABCL2L1
SCHEMBL27661425 0.84 RARB (0.50) KAT8BIDMCL1PPARABCL2L1
SCHEMBL27958079 0.83 BID (0.57) KAT8BIDMCL1PPARABCL2L1
SCHEMBL28103137 0.83 BID (0.57) KAT8BIDMCL1PPARABCL2L1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1490044-A4 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORP (US) 2008-04-16 EP disclosed
EP-1490044-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2004-12-29 EP disclosed
WO-2003084524-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2003-10-16 WO disclosed