SCHEMBL7780413

SCHEMBL7780413

C[C@@H](NC(c1ccc(Cl)cc1)c1cccc(Nc2c(OC(C)(C)C)c(=O)c2=O)c1)c1cc(F)cc(F)c1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 13/20 0.35
S1PR3 Q99500 1/20 0.35
POLB P06746 2/20 0.33
MAPK14 Q16539 1/20 0.33
CNR1 P21554 3/20 0.33
CNR2 P34972 2/20 0.33
TDO2 P48775 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL7785106 1.00 MAPKAPK2 (0.35) MAPKAPK2S1PR3POLBMAPK14CNR1
SCHEMBL7785097 0.94 MAPKAPK2 (0.39) MAPKAPK2S1PR3POLBMAPK14CNR1
SCHEMBL7780520 0.94 MAPKAPK2 (0.38) MAPKAPK2POLBMAPK14MEN1KMT2A
SCHEMBL7780422 0.93 MAPKAPK2 (0.41) MAPKAPK2MAPK14
SCHEMBL7788883 0.92 S1PR3 (0.35) MAPKAPK2S1PR3POLBMAPK14TDO2
SCHEMBL7785012 0.92 S1PR3 (0.35) MAPKAPK2S1PR3POLBMAPK14TDO2
SCHEMBL7785641 0.92 MAPKAPK2 (0.36) MAPKAPK2S1PR3POLBMAPK14MEN1
SCHEMBL7787591 0.91 MAPKAPK2 (0.36) MAPKAPK2S1PR3POLBMAPK14TDO2
SCHEMBL7787605 0.91 S1PR3 (0.35) MAPKAPK2S1PR3POLBMAPK14TDO2
SCHEMBL7780619 0.91 MAPKAPK2 (0.39) MAPKAPK2S1PR3POLBMAPK14MEN1

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
US-6329405-B1 AS ILEAL BILE ACID TRANSPORTER INHIBITOR, FOR THERAPY OF HYPERLIPEMIA SANKYO COMPANY, LIMITED (JP) 2001-12-11 US disclosed
EP-1070703-A1 Cyclobutene derivatives Sankyo Company Limited (JP) 2001-01-24 EP disclosed