SCHEMBL9988463

SCHEMBL9988463

COc1ccc(-n2nc(CCC(=O)NCc3cccc(Cl)c3)cc2-c2cccc(F)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.54
RXRB P28702 3/20 0.54
RXRG P48443 3/20 0.54
MALT1 Q9UDY8 3/20 0.52
ALOX5 P09917 1/20 0.51
PTGS2 P35354 1/20 0.51
CCKAR P32238 4/20 0.47
ALDH1A1 P00352 1/20 0.47
TP53 P04637 3/20 0.46
LMNA P02545 1/20 0.46
SLC16A3 O15427 2/20 0.45
SLC16A1 P53985 2/20 0.45
MCTS1 Q9ULC4 2/20 0.45
KMT2A Q03164 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
SCHEMBL9990141 0.94 RXRA (0.51) RXRARXRBRXRGMALT1ALOX5
SCHEMBL9989121 0.92 RXRA (0.52) RXRARXRBRXRGMALT1ALOX5
SCHEMBL9989540 0.92 MALT1 (0.52) RXRARXRBRXRGMALT1ALOX5
SCHEMBL9989656 0.92 MALT1 (0.53) RXRARXRBRXRGMALT1ALOX5
SCHEMBL9988460 0.92 MALT1 (0.62) RXRARXRBRXRGMALT1ALOX5
SCHEMBL9989257 0.91 MALT1 (0.51) RXRARXRBRXRGMALT1ALOX5
SCHEMBL9988474 0.91 RXRA (0.51) RXRARXRBRXRGMALT1ALOX5
SCHEMBL9988536 0.91 RXRA (0.48) RXRARXRBRXRGMALT1ALOX5
SCHEMBL9989011 0.91 RXRA (0.48) RXRARXRBRXRGMALT1ALOX5
SCHEMBL9988938 0.91 MALT1 (0.54) RXRARXRBRXRGMALT1ALOX5

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-2011161615-A1 5-LIPOXYGENASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2011-12-29 WO disclosed