SCHEMBL9989581

SCHEMBL9989581

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

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ILK Q13418 1/20 0.49
EPHX2 P34913 8/20 0.43
RXRA P19793 3/20 0.43
RXRB P28702 3/20 0.43
RXRG P48443 3/20 0.43
PTGS2 P35354 8/20 0.42
P2RX7 Q99572 1/20 0.42
ALOX5 P09917 4/20 0.42
MALT1 Q9UDY8 1/20 0.42
AKR1C3 P42330 1/20 0.41
PTGS1 P23219 1/20 0.39
SLC5A1 P13866 1/20 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
SCHEMBL9988639 0.93 RXRA (0.46) ILKEPHX2RXRARXRBRXRG
SCHEMBL9988461 0.90 PTGS2 (0.45) ILKEPHX2RXRARXRBRXRG
SCHEMBL9989045 0.89 RXRA (0.47) ILKRXRARXRBRXRGPTGS2
SCHEMBL9989267 0.89 CCKAR (0.47) RXRARXRBRXRGPTGS2P2RX7
SCHEMBL9989173 0.89 ILK (0.51) ILKEPHX2RXRARXRBRXRG
SCHEMBL9990073 0.84 RXRA (0.48) RXRARXRBRXRGPTGS2P2RX7
SCHEMBL9988310 0.83 CACNA1G (0.50) ILKRXRARXRBRXRGP2RX7
SCHEMBL9988509 0.82 MALT1 (0.50) RXRARXRBRXRGALOX5MALT1
SCHEMBL9989263 0.81 MALT1 (0.55) RXRARXRBRXRGALOX5MALT1
SCHEMBL9990231 0.81 RXRA (0.51) RXRARXRBRXRGPTGS2P2RX7

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