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SCHEMBL9998397

SCHEMBL9998397

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

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCKAR P32238 16/20 0.46
▸ RXRA P19793 1/20 0.46
▸ RXRB P28702 1/20 0.46
▸ RXRG P48443 1/20 0.46
▸ ALOX5 P09917 2/20 0.42
▸ PTGS1 P23219 1/20 0.42
▸ PTGS2 P35354 1/20 0.42
▸ SLC16A3 O15427 1/20 0.41
▸ SLC16A1 P53985 1/20 0.41

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
SCHEMBL9998797 0.92 RXRA (0.49) CCKARRXRARXRBRXRGALOX5
SCHEMBL9998570 0.90 CCKAR (0.51) CCKARRXRARXRBRXRGALOX5
SCHEMBL9998530 0.88 CCKAR (0.57) CCKARRXRARXRBRXRGALOX5
SCHEMBL9999152 0.88 CCKAR (0.49) CCKARRXRARXRBRXRGALOX5
SCHEMBL9998578 0.84 RXRA (0.49) CCKARRXRARXRBRXRGALOX5
SCHEMBL9998572 0.83 CCKAR (0.51) CCKARRXRARXRBRXRGALOX5
SCHEMBL9996784 0.83 RXRA (0.49) CCKARRXRARXRBRXRGALOX5
SCHEMBL9998393 0.82 RXRA (0.46) CCKARRXRARXRBRXRGALOX5
SCHEMBL9998809 0.81 CCKAR (0.45) CCKARRXRARXRBRXRGALOX5
SCHEMBL9998771 0.81 ALOX5 (0.55) CCKARRXRARXRBRXRGALOX5

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