SCHEMBL9998771

SCHEMBL9998771

COc1ccc(-n2nc(CCC(=O)NC(C)c3ccc(Cl)cc3)cc2-c2cccc(F)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.55
PTGS2 P35354 1/20 0.55
RXRA P19793 3/20 0.53
RXRB P28702 3/20 0.53
RXRG P48443 3/20 0.53
CCKAR P32238 10/20 0.52
SLC16A3 O15427 1/20 0.48
SLC16A1 P53985 1/20 0.48
MCTS1 Q9ULC4 1/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ENPP2 Q13822 1/20 0.46
PTGS1 P23219 1/20 0.45
GPR139 Q6DWJ6 1/20 0.44
MALT1 Q9UDY8 1/20 0.44

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
SCHEMBL9996784 0.94 RXRA (0.49) ALOX5PTGS2RXRARXRBRXRG
SCHEMBL9998572 0.93 CCKAR (0.51) ALOX5PTGS2RXRARXRBRXRG
SCHEMBL9998587 0.86 CCKAR (0.55) ALOX5PTGS2RXRARXRBRXRG
SCHEMBL9998530 0.85 CCKAR (0.57) ALOX5PTGS2RXRARXRBRXRG
SCHEMBL9998570 0.84 CCKAR (0.51) ALOX5PTGS2RXRARXRBRXRG
SCHEMBL9998797 0.83 RXRA (0.49) ALOX5PTGS2RXRARXRBRXRG
SCHEMBL9998578 0.83 RXRA (0.49) ALOX5PTGS2RXRARXRBRXRG
SCHEMBL9988871 0.82 RXRA (0.53) ALOX5PTGS2RXRARXRBRXRG
SCHEMBL9989306 0.82 RXRA (0.52) ALOX5PTGS2RXRARXRBRXRG
SCHEMBL9999066 0.81 CCKAR (0.49) ALOX5PTGS2RXRARXRBRXRG

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 2 patents. 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
WO-2011161645-A1 5-LIPOXYGENASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2011-12-29 WO disclosed