SCHEMBL7780392

SCHEMBL7780392

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

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 13/20 0.40
S1PR3 Q99500 1/20 0.36
RAPGEF4 Q8WZA2 1/20 0.35
MAPK14 Q16539 1/20 0.33
POLB P06746 2/20 0.32
MTOR P42345 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL7785641 0.94 MAPKAPK2 (0.36) MAPKAPK2S1PR3RAPGEF4MAPK14POLB
SCHEMBL7785265 0.94 MAPKAPK2 (0.41) MAPKAPK2RAPGEF4MAPK14POLBMTOR
SCHEMBL7780593 0.93 MAPKAPK2 (0.46) MAPKAPK2MAPK14MTORALDH1A1LMNA
SCHEMBL7785097 0.92 MAPKAPK2 (0.39) MAPKAPK2S1PR3MAPK14POLB
SCHEMBL7787581 0.92 S1PR3 (0.37) MAPKAPK2S1PR3RAPGEF4MAPK14POLB
SCHEMBL7785124 0.92 S1PR3 (0.37) MAPKAPK2S1PR3RAPGEF4MAPK14POLB
SCHEMBL7784925 0.91 ALDH1A1 (0.41) MAPKAPK2MAPK14POLBMEN1KMT2A
SCHEMBL7780520 0.89 MAPKAPK2 (0.38) MAPKAPK2MAPK14POLBMEN1KMT2A
SCHEMBL7780422 0.88 MAPKAPK2 (0.41) MAPKAPK2MAPK14
SCHEMBL7785039 0.88 MAPKAPK2 (0.43) MAPKAPK2MAPK14POLBMTORMEN1

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