SCHEMBL9988568

SCHEMBL9988568

COc1ccc(-n2nc(CCC(=O)NCc3cccc(F)c3F)cc2-c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.52
RXRB P28702 1/20 0.52
RXRG P48443 1/20 0.52
MALT1 Q9UDY8 1/20 0.50
ALOX5 P09917 2/20 0.49
PTGS2 P35354 1/20 0.49
CACNA1G O43497 1/20 0.48
CACNA1H O95180 1/20 0.48
RPA1 P27694 1/20 0.48
P2RX7 Q99572 1/20 0.48
CCKAR P32238 10/20 0.46
FABP3 P05413 1/20 0.44
FABP4 P15090 1/20 0.44
PTGS1 P23219 1/20 0.43
SLC16A3 O15427 1/20 0.43
SLC16A1 P53985 1/20 0.43
MCTS1 Q9ULC4 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
SCHEMBL9988397 0.94 CACNA1G (0.56) RXRARXRBRXRGMALT1ALOX5
SCHEMBL9990184 0.93 CCKAR (0.51) RXRARXRBRXRGMALT1ALOX5
SCHEMBL9988516 0.93 RXRA (0.48) RXRARXRBRXRGMALT1ALOX5
SCHEMBL9988571 0.89 ALOX5 (0.52) RXRARXRBRXRGMALT1ALOX5
SCHEMBL9990003 0.88 CCKAR (0.54) RXRARXRBRXRGMALT1ALOX5
SCHEMBL9989126 0.88 RXRA (0.55) RXRARXRBRXRGMALT1ALOX5
SCHEMBL9988340 0.87 RXRA (0.59) RXRARXRBRXRGMALT1ALOX5
SCHEMBL9988790 0.86 RXRA (0.56) RXRARXRBRXRGMALT1ALOX5
SCHEMBL9989355 0.85 MALT1 (0.62) RXRARXRBRXRGMALT1ALOX5
SCHEMBL9988567 0.85 MALT1 (0.55) RXRARXRBRXRGMALT1ALOX5

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