SCHEMBL9989306

SCHEMBL9989306

COc1ccc(-n2nc(CCC(=O)NCc3ccc(Cl)cc3Cl)cc2-c2cccc(F)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.52
RXRB P28702 2/20 0.52
RXRG P48443 2/20 0.52
ALOX5 P09917 1/20 0.52
PTGS2 P35354 1/20 0.52
P2RX7 Q99572 7/20 0.52
MALT1 Q9UDY8 1/20 0.49
CCKAR P32238 7/20 0.46
SLC16A3 O15427 1/20 0.46
SLC16A1 P53985 1/20 0.46
MCTS1 Q9ULC4 1/20 0.46
MARS1 P56192 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
SCHEMBL9988871 0.93 RXRA (0.53) RXRARXRBRXRGALOX5PTGS2
SCHEMBL9990250 0.92 RXRA (0.51) RXRARXRBRXRGALOX5PTGS2
SCHEMBL9990231 0.91 RXRA (0.51) RXRARXRBRXRGALOX5PTGS2
SCHEMBL9989595 0.90 RXRA (0.51) RXRARXRBRXRGALOX5PTGS2
SCHEMBL9990146 0.89 RXRA (0.50) RXRARXRBRXRGALOX5PTGS2
SCHEMBL9988463 0.89 RXRA (0.54) RXRARXRBRXRGALOX5PTGS2
SCHEMBL9989121 0.87 RXRA (0.52) RXRARXRBRXRGALOX5PTGS2
SCHEMBL9988474 0.86 RXRA (0.51) RXRARXRBRXRGALOX5PTGS2
SCHEMBL9988516 0.86 RXRA (0.48) RXRARXRBRXRGALOX5PTGS2
SCHEMBL9990073 0.86 RXRA (0.48) 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-2011161615-A1 5-LIPOXYGENASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2011-12-29 WO claimed