SCHEMBL9989607

SCHEMBL9989607

COc1ccc(-n2nc(CCC(=O)NCc3cc(C)cc(F)c3)cc2-c2ccc(F)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.51
PTGS2 P35354 2/20 0.51
RXRA P19793 2/20 0.49
RXRB P28702 2/20 0.49
RXRG P48443 2/20 0.49
MALT1 Q9UDY8 1/20 0.48
CCKAR P32238 10/20 0.47
RCE1 Q9Y256 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
PTGS1 P23219 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL9989053 0.95 ALOX5 (0.55) ALOX5PTGS2RXRARXRBRXRG
SCHEMBL9988785 0.94 MALT1 (0.51) ALOX5PTGS2RXRARXRBRXRG
SCHEMBL9988906 0.93 CCKAR (0.53) ALOX5PTGS2RXRARXRBRXRG
SCHEMBL9989578 0.91 RXRA (0.47) ALOX5PTGS2RXRARXRBRXRG
SCHEMBL9989546 0.89 MALT1 (0.55) ALOX5PTGS2RXRARXRBRXRG
SCHEMBL9990241 0.87 TP53 (0.45) ALOX5PTGS2RXRARXRBRXRG
SCHEMBL9988534 0.87 MALT1 (0.55) ALOX5PTGS2RXRARXRBRXRG
SCHEMBL9989639 0.85 ALOX5 (0.55) ALOX5PTGS2RXRARXRBRXRG
SCHEMBL9989582 0.85 ALOX5 (0.53) ALOX5PTGS2RXRARXRBRXRG
SCHEMBL9989603 0.84 MALT1 (0.60) ALOX5PTGS2RXRARXRBRXRG

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 claimed