SCHEMBL7780593

SCHEMBL7780593

C[C@@H](NC(c1ccccc1)c1cccc(Nc2c(OC(C)(C)C)c(=O)c2=O)c1)c1cccc(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 15/20 0.46
MAPK14 Q16539 1/20 0.39
MTOR P42345 1/20 0.36
PLK1 P53350 2/20 0.35
AURKB Q96GD4 3/20 0.35
ROCK1 Q13464 2/20 0.35
PDGFRA P16234 2/20 0.35
MAPK1 P28482 2/20 0.35
CSNK1G1 Q9HCP0 2/20 0.35
DCLK1 O15075 1/20 0.35
ROCK2 O75116 1/20 0.35
CHEK2 O96017 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
IRAK1 P51617 1/20 0.35
PRKX P51817 1/20 0.35
NEK4 P51957 1/20 0.35
CSNK1G2 P78368 1/20 0.35
CDC42BPA Q5VT25 1/20 0.35
BRSK1 Q8TDC3 1/20 0.35

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
SCHEMBL7785265 0.95 MAPKAPK2 (0.41) MAPKAPK2MAPK14MTORALDH1A1LMNA
SCHEMBL7780422 0.94 MAPKAPK2 (0.41) MAPKAPK2MAPK14PLK1AURKBROCK1
SCHEMBL7780392 0.93 MAPKAPK2 (0.40) MAPKAPK2MAPK14MTORALDH1A1LMNA
SCHEMBL7785097 0.93 MAPKAPK2 (0.39) MAPKAPK2MAPK14
SCHEMBL7785039 0.92 MAPKAPK2 (0.43) MAPKAPK2MAPK14MTORPLK1AURKB
SCHEMBL7780368 0.92 MAPKAPK2 (0.43) MAPKAPK2MAPK14PLK1AURKBROCK1
SCHEMBL7780351 0.92 MAPKAPK2 (0.43) MAPKAPK2MAPK14PLK1AURKBROCK1
SCHEMBL7784925 0.92 ALDH1A1 (0.41) MAPKAPK2MAPK14CYP2D6CYP2C9KDM4E
SCHEMBL7787476 0.90 MAPKAPK2 (0.39) MAPKAPK2MAPK14PLK1AURKBROCK1
SCHEMBL7780520 0.89 MAPKAPK2 (0.38) MAPKAPK2MAPK14PLK1AURKBROCK1

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