SCHEMBL9989045

SCHEMBL9989045

Cc1ccc(C)c(CNC(=O)CCc2cc(-c3cccc(F)c3)n(-c3ccc(C#N)cc3)n2)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.47
RXRB P28702 3/20 0.47
RXRG P48443 3/20 0.47
P2RX7 Q99572 4/20 0.42
MALT1 Q9UDY8 3/20 0.42
PTGS1 P23219 2/20 0.38
ALOX5 P09917 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
ILK Q13418 1/20 0.37
PTGS2 P35354 1/20 0.37
TP53 P04637 1/20 0.36
KDM1A O60341 2/20 0.35
CCKAR P32238 1/20 0.35

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
SCHEMBL9988639 0.93 RXRA (0.46) RXRARXRBRXRGP2RX7MALT1
SCHEMBL9989581 0.89 ILK (0.49) RXRARXRBRXRGP2RX7MALT1
SCHEMBL9989267 0.89 CCKAR (0.47) RXRARXRBRXRGP2RX7MALT1
SCHEMBL9988903 0.89 RXRA (0.48) RXRARXRBRXRGMALT1CA1
SCHEMBL9988461 0.87 PTGS2 (0.45) RXRARXRBRXRGP2RX7MALT1
SCHEMBL9990151 0.86 RXRA (0.52) RXRARXRBRXRGMALT1CA1
SCHEMBL9989579 0.85 RXRA (0.52) RXRARXRBRXRGP2RX7MALT1
SCHEMBL9988373 0.85 MALT1 (0.54) RXRARXRBRXRGMALT1PTGS1
SCHEMBL9988498 0.85 RXRA (0.51) RXRARXRBRXRGMALT1PTGS1
SCHEMBL9990073 0.84 RXRA (0.48) RXRARXRBRXRGP2RX7MALT1

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