SCHEMBL9989582

SCHEMBL9989582

COc1ccc(-n2nc(CCC(=O)NCc3cc(C)ccc3C)cc2-c2ccc(F)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.53
PTGS2 P35354 1/20 0.53
CCKAR P32238 13/20 0.51
RXRA P19793 2/20 0.49
RXRB P28702 2/20 0.49
RXRG P48443 2/20 0.49
PTGS1 P23219 1/20 0.47
MALT1 Q9UDY8 1/20 0.45
P2RX7 Q99572 1/20 0.45
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 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
SCHEMBL9988686 0.95 CCKAR (0.56) ALOX5PTGS2CCKARRXRARXRB
SCHEMBL9990297 0.91 CCKAR (0.55) ALOX5PTGS2CCKARRXRARXRB
SCHEMBL9989267 0.91 CCKAR (0.47) ALOX5PTGS2CCKARRXRARXRB
SCHEMBL9990073 0.87 RXRA (0.48) ALOX5PTGS2CCKARRXRARXRB
SCHEMBL9988507 0.87 ALDH1A1 (0.45) ALOX5PTGS2CCKARRXRARXRB
SCHEMBL9988571 0.86 ALOX5 (0.52) ALOX5PTGS2CCKARRXRARXRB
SCHEMBL9990003 0.85 CCKAR (0.54) ALOX5PTGS2CCKARRXRARXRB
SCHEMBL9989607 0.85 ALOX5 (0.51) ALOX5PTGS2CCKARRXRARXRB
SCHEMBL9988502 0.85 CCKAR (0.43) ALOX5PTGS2CCKARRXRARXRB
SCHEMBL9988906 0.85 CCKAR (0.53) ALOX5PTGS2CCKARRXRARXRB

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