SCHEMBL9988906

SCHEMBL9988906

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

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCKAR P32238 10/20 0.53
ALOX5 P09917 2/20 0.53
PTGS2 P35354 1/20 0.53
RXRA P19793 2/20 0.51
RXRB P28702 2/20 0.51
RXRG P48443 2/20 0.51
MALT1 Q9UDY8 1/20 0.49
PTGS1 P23219 1/20 0.49
MAPT P10636 1/20 0.48
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45

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) CCKARALOX5PTGS2RXRARXRB
SCHEMBL9989607 0.93 ALOX5 (0.51) CCKARALOX5PTGS2RXRARXRB
SCHEMBL9989546 0.92 MALT1 (0.55) CCKARALOX5PTGS2RXRARXRB
SCHEMBL9988785 0.91 MALT1 (0.51) CCKARALOX5PTGS2RXRARXRB
SCHEMBL9989603 0.89 MALT1 (0.60) CCKARALOX5PTGS2RXRARXRB
SCHEMBL9989050 0.87 CCKAR (0.58) CCKARALOX5PTGS2RXRARXRB
SCHEMBL9989578 0.87 RXRA (0.47) CCKARALOX5PTGS2RXRARXRB
SCHEMBL9988490 0.87 LMNA (0.49) CCKARALOX5PTGS2RXRARXRB
SCHEMBL9988911 0.86 ALOX5 (0.56) CCKARALOX5PTGS2RXRARXRB
SCHEMBL9990003 0.86 CCKAR (0.54) CCKARALOX5PTGS2RXRARXRB

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