SCHEMBL7787803

SCHEMBL7787803

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

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 7/20 0.40
S1PR3 Q99500 1/20 0.38
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
TEAD4 Q15561 1/20 0.35
MTOR P42345 1/20 0.35
CXCR2 P25025 2/20 0.34
CXCR1 P25024 1/20 0.34
OPRM1 P35372 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PTGER4 P35408 1/20 0.33
MAPK14 Q16539 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
OPRL1 P41146 1/20 0.33
RAPGEF4 Q8WZA2 1/20 0.33

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
Hydrochloric Acid SCHEMBL7795404 0.99 MAPKAPK2 (0.39) MAPKAPK2S1PR3THRATHRBTEAD4
SCHEMBL7780626 0.94 S1PR3 (0.38) MAPKAPK2S1PR3THRATHRBCXCR2
Hydrochloric Acid SCHEMBL7801920 0.93 S1PR3 (0.38) MAPKAPK2S1PR3THRATHRBCXCR2
Hydrochloric Acid SCHEMBL7795463 0.93 S1PR3 (0.38) MAPKAPK2S1PR3THRATHRBCXCR2
SCHEMBL7785614 0.93 MAPKAPK2 (0.42) MAPKAPK2THRATHRBTEAD4MTOR
SCHEMBL7785305 0.93 MAPKAPK2 (0.42) MAPKAPK2THRATHRBTEAD4MTOR
SCHEMBL7784941 0.92 S1PR3 (0.38) MAPKAPK2S1PR3THRATHRBCXCR2
SCHEMBL7801400 0.92 S1PR3 (0.38) MAPKAPK2S1PR3THRATHRBCXCR2
Hydrochloric Acid SCHEMBL7780386 0.92 MAPKAPK2 (0.41) MAPKAPK2THRATHRBTEAD4MTOR
SCHEMBL7787894 0.92 MAPKAPK2 (0.47) MAPKAPK2TEAD4MTORCXCR2CXCR1

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 3 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 claimed
EP-1070703-A1 Cyclobutene derivatives Sankyo Company Limited (JP) 2001-01-24 EP claimed
EP-1070703-A1 Cyclobutene derivatives Sankyo Company Limited (JP) 2001-01-24 EP disclosed