SCHEMBL7780371

SCHEMBL7780371

Cc1ccc(C(N[C@@H](C)Nc2ccc(F)c(F)c2)c2cccc(Nc3c(OC(C)(C)C)c(=O)c3=O)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 1/20 0.38
PGR P06401 1/20 0.35
AR P10275 1/20 0.35
RAPGEF4 Q8WZA2 1/20 0.33
MAPKAPK2 P49137 6/20 0.33
POLB P06746 1/20 0.32
MAPK14 Q16539 1/20 0.32
IDO1 P14902 1/20 0.30

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
SCHEMBL7785124 0.89 S1PR3 (0.37) S1PR3RAPGEF4MAPKAPK2POLBMAPK14
SCHEMBL7787581 0.89 S1PR3 (0.37) S1PR3RAPGEF4MAPKAPK2POLBMAPK14
SCHEMBL7780328 0.85 S1PR3 (0.40) S1PR3PGRARRAPGEF4MAPKAPK2
SCHEMBL7787857 0.85 S1PR3 (0.40) S1PR3PGRARRAPGEF4MAPKAPK2
SCHEMBL7787476 0.83 MAPKAPK2 (0.39) MAPKAPK2MAPK14
SCHEMBL7785641 0.82 MAPKAPK2 (0.36) S1PR3RAPGEF4MAPKAPK2POLBMAPK14
SCHEMBL7780392 0.82 MAPKAPK2 (0.40) S1PR3RAPGEF4MAPKAPK2POLBMAPK14
SCHEMBL7787795 0.82 MAPKAPK2 (0.36) S1PR3MAPKAPK2POLBMAPK14
SCHEMBL7787734 0.82 MAPKAPK2 (0.36) S1PR3MAPKAPK2POLBMAPK14
SCHEMBL7787605 0.81 S1PR3 (0.35) S1PR3MAPKAPK2POLBMAPK14

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
US-6329405-B1 AS ILEAL BILE ACID TRANSPORTER INHIBITOR, FOR THERAPY OF HYPERLIPEMIA SANKYO COMPANY, LIMITED (JP) 2001-12-11 US disclosed