SCHEMBL9988461

SCHEMBL9988461

Cc1ccc(C)c(CNC(=O)CCc2cc(-c3cccc(F)c3)n(-c3ccc(OC(F)(F)F)cc3)n2)c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.45
EPHX2 P34913 2/20 0.45
ALOX5 P09917 3/20 0.41
PTGS1 P23219 1/20 0.41
SLC5A1 P13866 7/20 0.41
P2RX7 Q99572 1/20 0.41
MALT1 Q9UDY8 1/20 0.40
ILK Q13418 1/20 0.39
RXRA P19793 3/20 0.39
RXRB P28702 3/20 0.39
RXRG P48443 3/20 0.39
CCKAR P32238 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
SCHEMBL9989267 0.91 CCKAR (0.47) PTGS2ALOX5PTGS1P2RX7MALT1
SCHEMBL9988639 0.91 RXRA (0.46) PTGS2EPHX2ALOX5PTGS1P2RX7
SCHEMBL9989581 0.90 ILK (0.49) PTGS2EPHX2ALOX5PTGS1SLC5A1
SCHEMBL9988720 0.89 EPHX2 (0.46) PTGS2EPHX2ALOX5PTGS1SLC5A1
SCHEMBL9988663 0.87 PTGS2 (0.48) PTGS2EPHX2ALOX5SLC5A1MALT1
SCHEMBL9989045 0.87 RXRA (0.47) PTGS2ALOX5PTGS1P2RX7MALT1
SCHEMBL9990073 0.86 RXRA (0.48) PTGS2ALOX5P2RX7MALT1RXRA
SCHEMBL9990231 0.84 RXRA (0.51) PTGS2ALOX5P2RX7MALT1RXRA
SCHEMBL9989582 0.82 ALOX5 (0.53) PTGS2ALOX5PTGS1P2RX7MALT1
SCHEMBL9988908 0.82 MALT1 (0.46) PTGS2EPHX2ALOX5SLC5A1P2RX7

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