SCHEMBL9990073

SCHEMBL9990073

COc1ccc(-n2nc(CCC(=O)NCc3cc(F)ccc3C)cc2-c2cccc(F)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.48
RXRB P28702 2/20 0.48
RXRG P48443 2/20 0.48
P2RX7 Q99572 2/20 0.46
ALOX5 P09917 1/20 0.46
PTGS2 P35354 1/20 0.46
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
CCKAR P32238 7/20 0.43
MALT1 Q9UDY8 1/20 0.43
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
RPA1 P27694 1/20 0.41
SLC16A3 O15427 2/20 0.40
SLC16A1 P53985 2/20 0.40
MCTS1 Q9ULC4 2/20 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
SCHEMBL9989267 0.95 CCKAR (0.47) RXRARXRBRXRGP2RX7ALOX5
SCHEMBL9990231 0.94 RXRA (0.51) RXRARXRBRXRGP2RX7ALOX5
SCHEMBL9988516 0.88 RXRA (0.48) RXRARXRBRXRGP2RX7ALOX5
SCHEMBL9990141 0.88 RXRA (0.51) RXRARXRBRXRGALOX5PTGS2
SCHEMBL9988639 0.88 RXRA (0.46) RXRARXRBRXRGP2RX7ALOX5
SCHEMBL9990146 0.88 RXRA (0.50) RXRARXRBRXRGP2RX7ALOX5
SCHEMBL9990250 0.88 RXRA (0.51) RXRARXRBRXRGP2RX7ALOX5
SCHEMBL9988490 0.87 LMNA (0.49) RXRARXRBRXRGALOX5PTGS2
SCHEMBL9989582 0.87 ALOX5 (0.53) RXRARXRBRXRGP2RX7ALOX5
SCHEMBL9989656 0.87 MALT1 (0.53) RXRARXRBRXRGALOX5PTGS2

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