SCHEMBL9998657

SCHEMBL9998657

COc1ccc(-n2nc(CCC(=O)NC(C)(O)c3ccccc3)cc2-c2cccc(F)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.50
RXRB P28702 2/20 0.50
RXRG P48443 2/20 0.50
SLC16A3 O15427 6/20 0.48
SLC16A1 P53985 6/20 0.48
MCTS1 Q9ULC4 3/20 0.48
PTGS2 P35354 3/20 0.46
ALOX5 P09917 2/20 0.46
RPA1 P27694 1/20 0.45
CCKAR P32238 5/20 0.43
PTGS1 P23219 1/20 0.42
ILK Q13418 1/20 0.41
EPHX2 P34913 1/20 0.41
FABP3 P05413 1/20 0.41
FABP4 P15090 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
SCHEMBL9998567 0.84 RXRA (0.46) RXRARXRBRXRGSLC16A3SLC16A1
SCHEMBL9999143 0.84 RXRA (0.69) RXRARXRBRXRGSLC16A3SLC16A1
SCHEMBL9989656 0.84 MALT1 (0.53) RXRARXRBRXRGSLC16A3SLC16A1
SCHEMBL9998393 0.84 RXRA (0.46) RXRARXRBRXRGSLC16A3SLC16A1
SCHEMBL9988515 0.82 MC4R (0.53) RXRARXRBRXRGSLC16A3SLC16A1
SCHEMBL9998570 0.82 CCKAR (0.51) RXRARXRBRXRGSLC16A3SLC16A1
SCHEMBL9990141 0.81 RXRA (0.51) RXRARXRBRXRGSLC16A3SLC16A1
SCHEMBL9998578 0.81 RXRA (0.49) RXRARXRBRXRGSLC16A3SLC16A1
SCHEMBL9988567 0.80 MALT1 (0.55) RXRARXRBRXRGPTGS2ALOX5
SCHEMBL9989046 0.80 TP53 (0.50) RXRARXRBRXRGSLC16A3SLC16A1

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