SCHEMBL9998637

SCHEMBL9998637

COc1ccc(-n2nc(CCC(=O)NC(CO)c3cc(C)cc(F)c3)cc2-c2cccc(F)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCKAR P32238 15/20 0.47
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
RXRG P48443 1/20 0.45
ALOX5 P09917 2/20 0.43
PTGS2 P35354 1/20 0.43
PTGS1 P23219 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL9999152 0.89 CCKAR (0.49) CCKARRXRARXRBRXRGALOX5
SCHEMBL9998809 0.89 CCKAR (0.45) CCKARRXRARXRBRXRGALOX5
SCHEMBL9998587 0.88 CCKAR (0.55) CCKARRXRARXRBRXRGALOX5
SCHEMBL9998572 0.84 CCKAR (0.51) CCKARRXRARXRBRXRGALOX5
SCHEMBL9989578 0.83 RXRA (0.47) CCKARRXRARXRBRXRGALOX5
SCHEMBL9996784 0.82 RXRA (0.49) CCKARRXRARXRBRXRGALOX5
SCHEMBL9998570 0.82 CCKAR (0.51) CCKARRXRARXRBRXRGALOX5
SCHEMBL9998578 0.81 RXRA (0.49) CCKARRXRARXRBRXRGALOX5
SCHEMBL9998771 0.80 ALOX5 (0.55) CCKARRXRARXRBRXRGALOX5
SCHEMBL9998530 0.80 CCKAR (0.57) 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