SCHEMBL9989126

SCHEMBL9989126

COc1ccc(-n2nc(CCC(=O)NCc3ccccc3C)cc2-c2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.55
RXRB P28702 1/20 0.55
RXRG P48443 1/20 0.55
RPA1 P27694 1/20 0.54
MALT1 Q9UDY8 2/20 0.53
ALOX5 P09917 2/20 0.52
PTGS2 P35354 1/20 0.52
CCKAR P32238 10/20 0.51
ALDH1A1 P00352 1/20 0.48
PTGS1 P23219 1/20 0.48
FABP3 P05413 1/20 0.47
FABP4 P15090 1/20 0.47

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
SCHEMBL9990297 0.92 CCKAR (0.55) RXRARXRBRXRGRPA1MALT1
SCHEMBL9988397 0.90 CACNA1G (0.56) RXRARXRBRXRGRPA1MALT1
SCHEMBL9988340 0.90 RXRA (0.59) RXRARXRBRXRGRPA1MALT1
SCHEMBL9989355 0.89 MALT1 (0.62) RXRARXRBRXRGRPA1MALT1
SCHEMBL9988790 0.88 RXRA (0.56) RXRARXRBRXRGRPA1MALT1
SCHEMBL9988568 0.88 RXRA (0.52) RXRARXRBRXRGRPA1MALT1
SCHEMBL9989050 0.87 CCKAR (0.58) RXRARXRBRXRGRPA1MALT1
SCHEMBL9988686 0.86 CCKAR (0.56) RXRARXRBRXRGMALT1ALOX5
SCHEMBL9990003 0.86 CCKAR (0.54) RXRARXRBRXRGMALT1ALOX5
SCHEMBL9988493 0.85 MALT1 (0.56) RXRARXRBRXRGRPA1MALT1

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