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Sugi Predict / Compounds / SCHEMBL7787734

SCHEMBL7787734

SCHEMBL7787734

CC(NC(c1ccc(F)cc1)c1cccc(Nc2c(OC(C)(C)C)c(=O)c2=O)c1)c1ccc(F)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK2 P49137 14/20 0.36
▸ MAPK14 Q16539 1/20 0.35
▸ POLB P06746 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ S1PR3 Q99500 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
SCHEMBL7787795 1.00 MAPKAPK2 (0.36) MAPKAPK2MAPK14POLBMEN1KMT2A
SCHEMBL7787476 0.95 MAPKAPK2 (0.39) MAPKAPK2MAPK14
SCHEMBL7787605 0.94 S1PR3 (0.35) MAPKAPK2MAPK14POLBMEN1KMT2A
SCHEMBL7787581 0.94 S1PR3 (0.37) MAPKAPK2MAPK14POLBMEN1KMT2A
SCHEMBL7785124 0.94 S1PR3 (0.37) MAPKAPK2MAPK14POLBMEN1KMT2A
SCHEMBL7784913 0.93 MAPKAPK2 (0.36) MAPKAPK2MAPK14POLBMEN1KMT2A
SCHEMBL7787702 0.93 MAPKAPK2 (0.36) MAPKAPK2MAPK14POLBMEN1KMT2A
SCHEMBL7785265 0.93 MAPKAPK2 (0.41) MAPKAPK2MAPK14POLBMEN1KMT2A
SCHEMBL7785270 0.92 KMT2A (0.38) MAPKAPK2MAPK14POLBMEN1KMT2A
SCHEMBL7780305 0.92 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