SCHEMBL9999143

SCHEMBL9999143

COc1ccc(-n2nc(CCC(=O)O)cc2-c2cccc(F)c2)cc1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXRA P19793 8/20 0.69
RXRB P28702 8/20 0.69
RXRG P48443 8/20 0.69
ALOX5 P09917 1/20 0.55
PTGS2 P35354 1/20 0.55
RPA1 P27694 1/20 0.52
FABP3 P05413 1/20 0.51
FABP4 P15090 1/20 0.51
SLC16A3 O15427 2/20 0.50
SLC16A1 P53985 2/20 0.50
MCTS1 Q9ULC4 2/20 0.50
CCKAR P32238 6/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48

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
SCHEMBL9989656 0.86 MALT1 (0.53) RXRARXRBRXRGALOX5PTGS2
SCHEMBL9988889 0.85 RXRA (0.66) RXRARXRBRXRGALOX5PTGS2
SCHEMBL9990141 0.85 RXRA (0.51) RXRARXRBRXRGALOX5PTGS2
SCHEMBL9988515 0.85 MC4R (0.53) RXRARXRBRXRGALOX5PTGS2
SCHEMBL9989245 0.84 MAPT (0.52) RXRARXRBRXRGALOX5PTGS2
SCHEMBL9998657 0.84 RXRA (0.50) RXRARXRBRXRGALOX5PTGS2
SCHEMBL9998570 0.84 CCKAR (0.51) RXRARXRBRXRGALOX5PTGS2
SCHEMBL9988966 0.83 MAPT (0.51) RXRARXRBRXRGALOX5PTGS2
SCHEMBL9998578 0.83 RXRA (0.49) RXRARXRBRXRGALOX5PTGS2
SCHEMBL9695677 0.83 RXRA (0.74) RXRARXRBRXRGALOX5PTGS2

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-2011161645-A1 5-LIPOXYGENASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2011-12-29 WO disclosed