SCHEMBL9989639

SCHEMBL9989639

COc1ccc(-n2nc(CCC(=O)NCc3ccc(Cl)c(Cl)c3)cc2-c2ccc(F)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.55
PTGS2 P35354 1/20 0.55
RPA1 P27694 4/20 0.53
RXRA P19793 2/20 0.53
RXRB P28702 2/20 0.53
RXRG P48443 2/20 0.53
MALT1 Q9UDY8 4/20 0.51
CCKAR P32238 4/20 0.46
RCE1 Q9Y256 1/20 0.46
P2RX7 Q99572 1/20 0.45
PPP1CA P62136 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
SCHEMBL9988911 0.92 ALOX5 (0.56) ALOX5PTGS2RPA1RXRARXRB
SCHEMBL9988474 0.91 RXRA (0.51) ALOX5PTGS2RPA1RXRARXRB
SCHEMBL9989053 0.89 ALOX5 (0.55) ALOX5PTGS2RXRARXRBRXRG
SCHEMBL9988534 0.88 MALT1 (0.55) ALOX5PTGS2RPA1RXRARXRB
SCHEMBL9988937 0.87 RXRA (0.47) ALOX5PTGS2RPA1RXRARXRB
SCHEMBL9989607 0.85 ALOX5 (0.51) ALOX5PTGS2RXRARXRBRXRG
SCHEMBL9990205 0.85 RXRA (0.46) ALOX5PTGS2RPA1RXRARXRB
SCHEMBL9989121 0.85 RXRA (0.52) ALOX5PTGS2RPA1RXRARXRB
SCHEMBL9988906 0.83 CCKAR (0.53) ALOX5PTGS2RXRARXRBRXRG
SCHEMBL9988571 0.83 ALOX5 (0.52) ALOX5PTGS2RPA1RXRARXRB

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 claimed