SCHEMBL9990241

SCHEMBL9990241

COc1ccc(-n2nc(CCC(=O)NCc3cc(C)cc(F)c3)cc2-c2ccccc2F)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.45
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
RCE1 Q9Y256 1/20 0.42
KDM4E B2RXH2 5/20 0.42
MALT1 Q9UDY8 1/20 0.42
PTGS2 P35354 2/20 0.42
ALOX5 P09917 1/20 0.42
ALDH1A1 P00352 5/20 0.41
GAA P10253 1/20 0.41
CCKAR P32238 2/20 0.41
GLA P06280 1/20 0.41
MAPT P10636 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
SCHEMBL9988550 0.95 TP53 (0.47) TP53RXRARXRBRXRGRCE1
SCHEMBL9989283 0.91 TP53 (0.45) TP53RXRARXRBRXRGKDM4E
SCHEMBL9988785 0.90 MALT1 (0.51) RXRARXRBRXRGRCE1MALT1
SCHEMBL9989284 0.90 TP53 (0.51) TP53RXRARXRBRXRGRCE1
SCHEMBL9988654 0.88 RXRA (0.44) TP53RXRARXRBRXRGRCE1
SCHEMBL9989607 0.87 ALOX5 (0.51) RXRARXRBRXRGRCE1MALT1
SCHEMBL9989578 0.87 RXRA (0.47) TP53RXRARXRBRXRGRCE1
SCHEMBL9988542 0.86 ALDH1A1 (0.49) TP53RXRARXRBRXRGKDM4E
SCHEMBL9988937 0.85 RXRA (0.47) TP53RXRARXRBRXRGRCE1
SCHEMBL9988507 0.85 ALDH1A1 (0.45) TP53RXRARXRBRXRGKDM4E

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 2 patents. 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
WO-2011161615-A1 5-LIPOXYGENASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2011-12-29 WO disclosed