SCHEMBL9998393

SCHEMBL9998393

COc1ccc(-n2nc(CCC(=O)NC(C)(C(=O)O)c3ccc(OC)c(C)c3)cc2-c2cccc(F)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
RXRG P48443 1/20 0.46
SLC16A3 O15427 9/20 0.45
SLC16A1 P53985 9/20 0.45
MCTS1 Q9ULC4 3/20 0.45
ALOX5 P09917 1/20 0.44
PTGS2 P35354 1/20 0.44
CCKAR P32238 8/20 0.41
ILK Q13418 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
SCHEMBL9998567 0.89 RXRA (0.46) RXRARXRBRXRGSLC16A3SLC16A1
SCHEMBL9998657 0.84 RXRA (0.50) RXRARXRBRXRGSLC16A3SLC16A1
SCHEMBL9998397 0.82 CCKAR (0.46) RXRARXRBRXRGSLC16A3SLC16A1
SCHEMBL9999143 0.79 RXRA (0.69) RXRARXRBRXRGSLC16A3SLC16A1
SCHEMBL9989656 0.79 MALT1 (0.53) RXRARXRBRXRGSLC16A3SLC16A1
SCHEMBL9990073 0.79 RXRA (0.48) RXRARXRBRXRGSLC16A3SLC16A1
SCHEMBL9990141 0.78 RXRA (0.51) RXRARXRBRXRGSLC16A3SLC16A1
SCHEMBL9989011 0.77 RXRA (0.48) RXRARXRBRXRGALOX5PTGS2
SCHEMBL9988966 0.77 MAPT (0.51) RXRARXRBRXRGALOX5PTGS2
SCHEMBL9990231 0.76 RXRA (0.51) RXRARXRBRXRGSLC16A3SLC16A1

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-2011161645-A1 5-LIPOXYGENASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2011-12-29 WO disclosed