SCHEMBL9989266

SCHEMBL9989266

COc1ccc(-n2nc(CCC(=O)NCc3cncc(C)c3)cc2-c2cccc(F)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
RXRG P48443 1/20 0.46
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
ALOX5 P09917 1/20 0.44
PTGS2 P35354 1/20 0.44
MALT1 Q9UDY8 1/20 0.43
CCKAR P32238 8/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
P2RX7 Q99572 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
RCE1 Q9Y256 1/20 0.40

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
SCHEMBL9989011 0.91 RXRA (0.48) RXRARXRBRXRGLMNATP53
SCHEMBL9989578 0.90 RXRA (0.47) RXRARXRBRXRGLMNATP53
SCHEMBL9988490 0.90 LMNA (0.49) RXRARXRBRXRGLMNATP53
SCHEMBL9990141 0.89 RXRA (0.51) RXRARXRBRXRGLMNATP53
SCHEMBL9989656 0.88 MALT1 (0.53) RXRARXRBRXRGLMNATP53
SCHEMBL9988536 0.86 RXRA (0.48) RXRARXRBRXRGLMNATP53
SCHEMBL9988463 0.85 RXRA (0.54) RXRARXRBRXRGLMNATP53
SCHEMBL9988567 0.85 MALT1 (0.55) RXRARXRBRXRGLMNATP53
SCHEMBL9988474 0.85 RXRA (0.51) RXRARXRBRXRGLMNATP53
SCHEMBL9993178 0.85 RXRA (0.47) RXRARXRBRXRGLMNATP53

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