SCHEMBL7787605

SCHEMBL7787605

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

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 2/20 0.35
MAPKAPK2 P49137 13/20 0.35
MAPK14 Q16539 1/20 0.35
POLB P06746 2/20 0.33
TDO2 P48775 1/20 0.33
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
SCHEMBL7787476 0.94 MAPKAPK2 (0.39) MAPKAPK2MAPK14TDO2
SCHEMBL7788883 0.94 S1PR3 (0.35) S1PR3MAPKAPK2MAPK14POLBTDO2
SCHEMBL7785012 0.94 S1PR3 (0.35) S1PR3MAPKAPK2MAPK14POLBTDO2
SCHEMBL7787795 0.94 MAPKAPK2 (0.36) S1PR3MAPKAPK2MAPK14POLBMEN1
SCHEMBL7787734 0.94 MAPKAPK2 (0.36) S1PR3MAPKAPK2MAPK14POLBMEN1
SCHEMBL7787581 0.93 S1PR3 (0.37) S1PR3MAPKAPK2MAPK14POLBMEN1
SCHEMBL7785097 0.93 MAPKAPK2 (0.39) S1PR3MAPKAPK2MAPK14POLBTDO2
SCHEMBL7785124 0.93 S1PR3 (0.37) S1PR3MAPKAPK2MAPK14POLBMEN1
SCHEMBL7785270 0.91 KMT2A (0.38) MAPKAPK2MAPK14POLBMEN1KMT2A
SCHEMBL7780305 0.91 KMT2A (0.38) MAPKAPK2MAPK14POLBMEN1KMT2A

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