SCHEMBL7787459

SCHEMBL7787459

C[C@@H](NC(c1ccc(Cl)cc1)c1cccc(Nc2c(O)c(=O)c2=O)c1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 2/20 0.41
MAPKAPK2 P49137 12/20 0.41
S1PR3 Q99500 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
CNR1 P21554 1/20 0.38
AURKB Q96GD4 3/20 0.38
ROCK1 Q13464 2/20 0.38
PDGFRA P16234 2/20 0.38
MAPK1 P28482 2/20 0.38
CSNK1G1 Q9HCP0 2/20 0.38
DCLK1 O15075 1/20 0.38
ROCK2 O75116 1/20 0.38
CHEK2 O96017 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
IRAK1 P51617 1/20 0.38
PRKX P51817 1/20 0.38

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
SCHEMBL7787711 1.00 CXCR2 (0.41) CXCR2MAPKAPK2S1PR3MEN1KMT2A
SCHEMBL7789354 0.93 MAPKAPK2 (0.45) CXCR2MAPKAPK2AURKBROCK1PDGFRA
SCHEMBL7785092 0.93 MAPKAPK2 (0.45) CXCR2MAPKAPK2AURKBROCK1PDGFRA
SCHEMBL7801400 0.90 S1PR3 (0.38) CXCR2MAPKAPK2S1PR3MEN1KMT2A
SCHEMBL7784941 0.90 S1PR3 (0.38) CXCR2MAPKAPK2S1PR3MEN1KMT2A
SCHEMBL7787803 0.90 MAPKAPK2 (0.40) CXCR2MAPKAPK2S1PR3MEN1KMT2A
SCHEMBL7780626 0.90 S1PR3 (0.38) CXCR2MAPKAPK2S1PR3MEN1KMT2A
SCHEMBL7785292 0.89 MAPKAPK2 (0.45) MAPKAPK2AURKBROCK1PDGFRAMAPK1
Hydrochloric Acid SCHEMBL7795463 0.89 S1PR3 (0.38) CXCR2MAPKAPK2S1PR3MEN1KMT2A
Hydrochloric Acid SCHEMBL7801920 0.89 S1PR3 (0.38) CXCR2MAPKAPK2S1PR3MEN1KMT2A

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