SCHEMBL7785002

SCHEMBL7785002

C[C@@H](NC(c1ccccc1)c1cccc(Nc2c(OC(C)(C)C)c(=O)c2=O)c1)c1cccc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 14/20 0.36
ALDH1A1 P00352 1/20 0.35
PLK1 P53350 2/20 0.34
AURKB Q96GD4 4/20 0.34
PDGFRA P16234 3/20 0.34
CSNK1G1 Q9HCP0 3/20 0.34
ROCK1 Q13464 2/20 0.34
MAPK1 P28482 2/20 0.34
DCLK1 O15075 1/20 0.34
ROCK2 O75116 1/20 0.34
CHEK2 O96017 1/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
IRAK1 P51617 1/20 0.34
PRKX P51817 1/20 0.34
NEK4 P51957 1/20 0.34
CSNK1G2 P78368 1/20 0.34
CDC42BPA Q5VT25 1/20 0.34
BRSK1 Q8TDC3 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34

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
SCHEMBL7787799 0.95 S1PR3 (0.35) MAPKAPK2
SCHEMBL7780418 0.94 MAPKAPK2 (0.36) MAPKAPK2ALDH1A1MAPK14
SCHEMBL7785671 0.94 IDH1 (0.35) MAPKAPK2
SCHEMBL7780588 0.93 MAPKAPK2 (0.38) MAPKAPK2ALDH1A1
SCHEMBL7780368 0.88 MAPKAPK2 (0.43) MAPKAPK2PLK1AURKBPDGFRACSNK1G1
SCHEMBL7780351 0.88 MAPKAPK2 (0.43) MAPKAPK2PLK1AURKBPDGFRACSNK1G1
SCHEMBL7789338 0.83 RCE1 (0.45) MAPKAPK2ALDH1A1RCE1
SCHEMBL7780619 0.83 MAPKAPK2 (0.39) MAPKAPK2PLK1AURKBPDGFRACSNK1G1
SCHEMBL7780422 0.83 MAPKAPK2 (0.41) MAPKAPK2PLK1AURKBPDGFRACSNK1G1
SCHEMBL7780593 0.83 MAPKAPK2 (0.46) MAPKAPK2ALDH1A1PLK1AURKBPDGFRA

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