SCHEMBL7780418

SCHEMBL7780418

C[C@@H](NC(c1ccc(F)cc1)c1cccc(Nc2c(OC(C)(C)C)c(=O)c2=O)c1)c1cccc2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 11/20 0.36
MAPK14 Q16539 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
POLB P06746 2/20 0.32
PTGER4 P35408 1/20 0.32
TDO2 P48775 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL7785002 0.94 MAPKAPK2 (0.36) MAPKAPK2MAPK14ALDH1A1
SCHEMBL7787799 0.92 S1PR3 (0.35) MAPKAPK2POLBPTGER4
SCHEMBL7785671 0.91 IDH1 (0.35) MAPKAPK2POLBPTGER4TDO2
SCHEMBL7780588 0.91 MAPKAPK2 (0.38) MAPKAPK2MEN1KMT2APOLBALDH1A1
SCHEMBL7785039 0.88 MAPKAPK2 (0.43) MAPKAPK2MAPK14MEN1KMT2APOLB
SCHEMBL7780520 0.86 MAPKAPK2 (0.38) MAPKAPK2MAPK14MEN1KMT2APOLB
SCHEMBL7785265 0.86 MAPKAPK2 (0.41) MAPKAPK2MAPK14MEN1KMT2APOLB
SCHEMBL7780400 0.85 RCE1 (0.40) MAPKAPK2MAPK14PTGER4ALDH1A1
SCHEMBL7787509 0.85 RCE1 (0.40) MAPKAPK2MAPK14PTGER4ALDH1A1
Hydrochloric Acid SCHEMBL7787883 0.84 RCE1 (0.41) MAPKAPK2MAPK14PTGER4ALDH1A1

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