SCHEMBL9988682

SCHEMBL9988682

COc1ccc(-n2nc(CCC(=O)NCc3cccc(C)c3)cc2-c2cccc(N)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.48
RXRB P28702 1/20 0.48
RXRG P48443 1/20 0.48
CCKAR P32238 7/20 0.47
MALT1 Q9UDY8 1/20 0.47
ALOX5 P09917 2/20 0.46
PTGS2 P35354 1/20 0.46
TP53 P04637 1/20 0.44
MAPT P10636 3/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
PTGS1 P23219 1/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
PSMD14 O00487 1/20 0.42
POLB P06746 1/20 0.42
PAX8 Q06710 1/20 0.42

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
SCHEMBL9988493 0.91 MALT1 (0.56) RXRARXRBRXRGCCKARMALT1
SCHEMBL9989011 0.90 RXRA (0.48) RXRARXRBRXRGCCKARMALT1
SCHEMBL9990308 0.88 RXRA (0.47) RXRARXRBRXRGCCKARMALT1
SCHEMBL9989590 0.85 RXRA (0.44) RXRARXRBRXRGCCKARMALT1
SCHEMBL9990141 0.84 RXRA (0.51) RXRARXRBRXRGMALT1ALOX5
SCHEMBL9989355 0.84 MALT1 (0.62) RXRARXRBRXRGCCKARMALT1
SCHEMBL9988853 0.83 MAPT (0.48) MALT1TP53MAPT
SCHEMBL9989283 0.83 TP53 (0.45) RXRARXRBRXRGCCKARMALT1
SCHEMBL9988942 0.83 TP53 (0.44) RXRARXRBRXRGCCKARMALT1
SCHEMBL9989578 0.83 RXRA (0.47) RXRARXRBRXRGCCKARMALT1

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