SCHEMBL9998797

SCHEMBL9998797

COc1ccc(-n2nc(CCC(=O)NC(C(=O)O)c3ccc(OC)c(Cl)c3)cc2-c2cccc(F)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.49
RXRB P28702 1/20 0.49
RXRG P48443 1/20 0.49
ALOX5 P09917 2/20 0.47
PTGS2 P35354 1/20 0.47
CCKAR P32238 16/20 0.46
SLC16A3 O15427 1/20 0.43
SLC16A1 P53985 1/20 0.43
MCTS1 Q9ULC4 1/20 0.43
PTGS1 P23219 1/20 0.42

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
SCHEMBL9998397 0.92 CCKAR (0.46) RXRARXRBRXRGALOX5PTGS2
SCHEMBL9998530 0.90 CCKAR (0.57) RXRARXRBRXRGALOX5PTGS2
SCHEMBL9998570 0.89 CCKAR (0.51) RXRARXRBRXRGALOX5PTGS2
SCHEMBL9999152 0.86 CCKAR (0.49) RXRARXRBRXRGALOX5PTGS2
SCHEMBL9998578 0.84 RXRA (0.49) RXRARXRBRXRGALOX5PTGS2
SCHEMBL9998771 0.83 ALOX5 (0.55) RXRARXRBRXRGALOX5PTGS2
SCHEMBL9996784 0.82 RXRA (0.49) RXRARXRBRXRGALOX5PTGS2
SCHEMBL9998572 0.81 CCKAR (0.51) RXRARXRBRXRGALOX5PTGS2
SCHEMBL9999066 0.81 CCKAR (0.49) RXRARXRBRXRGALOX5PTGS2
SCHEMBL9998587 0.80 CCKAR (0.55) 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 claimed