SCHEMBL9989355

SCHEMBL9989355

COc1ccc(-n2nc(CCC(=O)NCc3ccccc3)cc2-c2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 2/20 0.62
RXRA P19793 1/20 0.58
RXRB P28702 1/20 0.58
RXRG P48443 1/20 0.58
ALOX5 P09917 2/20 0.56
PTGS2 P35354 1/20 0.56
RPA1 P27694 1/20 0.55
ALDH1A1 P00352 1/20 0.54
TSHR P16473 1/20 0.52
CACNA1G O43497 1/20 0.52
CACNA1H O95180 1/20 0.52
CCKAR P32238 6/20 0.52
FABP3 P05413 1/20 0.49
FABP4 P15090 1/20 0.49
NPC1 O15118 1/20 0.49
PTGS1 P23219 1/20 0.48
KDM4E B2RXH2 1/20 0.48
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.48

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
SCHEMBL9989050 0.94 CCKAR (0.58) MALT1RXRARXRBRXRGALOX5
SCHEMBL9989603 0.94 MALT1 (0.60) MALT1RXRARXRBRXRGALOX5
SCHEMBL9988534 0.93 MALT1 (0.55) MALT1RXRARXRBRXRGALOX5
SCHEMBL9988359 0.93 MALT1 (0.67) MALT1RXRARXRBRXRGALOX5
SCHEMBL9988493 0.93 MALT1 (0.56) MALT1RXRARXRBRXRGALOX5
SCHEMBL9988567 0.92 MALT1 (0.55) MALT1RXRARXRBRXRGALOX5
SCHEMBL9988460 0.92 MALT1 (0.62) MALT1RXRARXRBRXRGALOX5
SCHEMBL9990181 0.92 MALT1 (0.53) MALT1RXRARXRBRXRGALOX5
SCHEMBL9989656 0.92 MALT1 (0.53) MALT1RXRARXRBRXRGALOX5
SCHEMBL9989546 0.92 MALT1 (0.55) MALT1RXRARXRBRXRGALOX5

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