SCHEMBL9990308

SCHEMBL9990308

COc1ccc(-n2nc(CCC(=O)NCc3cccc(C)c3)cc2-c2cccnc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
RXRG P48443 1/20 0.47
LMNA P02545 1/20 0.47
CCKAR P32238 4/20 0.46
MALT1 Q9UDY8 1/20 0.46
ALOX5 P09917 1/20 0.45
PTGS2 P35354 1/20 0.45
DHODH Q02127 1/20 0.44
TP53 P04637 1/20 0.44
SLC16A3 O15427 1/20 0.44
SLC16A1 P53985 1/20 0.44
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HCRTR1 O43613 2/20 0.43
HCRTR2 O43614 2/20 0.43
THRB P10828 1/20 0.43
MAPT P10636 3/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL9990181 0.92 MALT1 (0.53) RXRARXRBRXRGLMNAMALT1
SCHEMBL9989653 0.91 RXRA (0.53) RXRARXRBRXRGLMNACCKAR
SCHEMBL9993178 0.91 RXRA (0.47) RXRARXRBRXRGLMNAMALT1
SCHEMBL9988493 0.91 MALT1 (0.56) RXRARXRBRXRGCCKARMALT1
SCHEMBL9989490 0.90 RXRA (0.50) RXRARXRBRXRGLMNAMALT1
SCHEMBL9989011 0.88 RXRA (0.48) RXRARXRBRXRGLMNACCKAR
SCHEMBL9988682 0.88 RXRA (0.48) RXRARXRBRXRGCCKARMALT1
SCHEMBL9989355 0.83 MALT1 (0.62) RXRARXRBRXRGCCKARMALT1
SCHEMBL9989590 0.83 RXRA (0.44) RXRARXRBRXRGCCKARMALT1
SCHEMBL9989283 0.83 TP53 (0.45) RXRARXRBRXRGCCKARMALT1

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