SCHEMBL9988720

SCHEMBL9988720

Cc1cccc(CNC(=O)CCc2cc(-c3cccc(F)c3)n(-c3ccc(OC(F)(F)F)cc3)n2)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.46
PTGS2 P35354 2/20 0.46
MALT1 Q9UDY8 2/20 0.45
SLC5A1 P13866 5/20 0.43
ALOX5 P09917 1/20 0.41
PTGS1 P23219 1/20 0.41
ILK Q13418 1/20 0.40
TP53 P04637 2/20 0.40
ABCB1 P08183 1/20 0.39
LMNA P02545 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
RXRA P19793 2/20 0.39
RXRB P28702 2/20 0.39
RXRG P48443 2/20 0.39

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
SCHEMBL9989011 0.91 RXRA (0.48) PTGS2MALT1ALOX5PTGS1TP53
SCHEMBL9988509 0.90 MALT1 (0.50) MALT1ALOX5PTGS1TP53LMNA
SCHEMBL9988467 0.90 MALT1 (0.45) MALT1SLC5A1ALOX5PTGS1TP53
SCHEMBL9989173 0.90 ILK (0.51) EPHX2PTGS2MALT1SLC5A1ALOX5
SCHEMBL9988461 0.89 PTGS2 (0.45) EPHX2PTGS2MALT1SLC5A1ALOX5
SCHEMBL9988479 0.88 MALT1 (0.49) MALT1ILKTP53LMNARXFP1
SCHEMBL9988840 0.88 MALT1 (0.52) MALT1ALOX5PTGS1TP53RXFP1
SCHEMBL9988908 0.88 MALT1 (0.46) EPHX2PTGS2MALT1SLC5A1ALOX5
SCHEMBL9989423 0.88 MALT1 (0.48) MALT1ALOX5ILKTP53LMNA
SCHEMBL9988828 0.87 MALT1 (0.45) MALT1ALOX5TP53LMNARXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011161615-A1 5-LIPOXYGENASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2011-12-29 WO disclosed