SCHEMBL9989304

SCHEMBL9989304

COc1ccc(-n2nc(CCC(=O)NCCc3cccs3)cc2-c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.52
RXRB P28702 1/20 0.52
RXRG P48443 1/20 0.52
ALOX5 P09917 2/20 0.50
PTGS2 P35354 1/20 0.50
RPA1 P27694 1/20 0.49
MALT1 Q9UDY8 1/20 0.49
HPGD P15428 1/20 0.48
CCKAR P32238 10/20 0.47
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
FABP3 P05413 1/20 0.45
FABP4 P15090 1/20 0.45
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
PTGS1 P23219 1/20 0.44
MAPT P10636 1/20 0.43

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
SCHEMBL9988392 0.84 MC4R (0.57) RXRARXRBRXRGALOX5PTGS2
SCHEMBL9990096 0.83 LMNA (0.47) RXRARXRBRXRGALOX5PTGS2
SCHEMBL9989355 0.82 MALT1 (0.62) RXRARXRBRXRGALOX5PTGS2
SCHEMBL9988308 0.81 MALT1 (0.55) RXRARXRBRXRGALOX5PTGS2
SCHEMBL9988702 0.81 PTGS2 (0.58) RXRARXRBRXRGALOX5PTGS2
SCHEMBL9988492 0.81 MALT1 (0.55) RXRARXRBRXRGALOX5PTGS2
SCHEMBL9988404 0.80 PTGS2 (0.59) RXRARXRBRXRGPTGS2POLB
SCHEMBL9989050 0.79 CCKAR (0.58) RXRARXRBRXRGALOX5PTGS2
SCHEMBL9989126 0.79 RXRA (0.55) RXRARXRBRXRGALOX5PTGS2
SCHEMBL9988359 0.79 MALT1 (0.67) RXRARXRBRXRGALOX5PTGS2

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