SCHEMBL7789434

SCHEMBL7789434

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

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 11/20 0.38
CXCR2 P25025 1/20 0.36
MAPK14 Q16539 1/20 0.36
TEAD4 Q15561 2/20 0.35
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
S1PR3 Q99500 1/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
PDPK1 O15530 1/20 0.32
PPARA Q07869 1/20 0.32

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
SCHEMBL7780735 1.00 MAPKAPK2 (0.38) MAPKAPK2CXCR2MAPK14TEAD4MEN1
Hydrochloric Acid SCHEMBL7803654 0.99 MAPKAPK2 (0.37) MAPKAPK2CXCR2MAPK14TEAD4MEN1
Hydrochloric Acid SCHEMBL7801963 0.99 MAPKAPK2 (0.37) MAPKAPK2CXCR2MAPK14TEAD4MEN1
SCHEMBL7785252 0.95 MAPKAPK2 (0.40) MAPKAPK2CXCR2MAPK14TEAD4PDPK1
Hydrochloric Acid SCHEMBL7785103 0.94 MAPKAPK2 (0.40) MAPKAPK2CXCR2MAPK14TEAD4PDPK1
SCHEMBL7801400 0.93 S1PR3 (0.38) MAPKAPK2CXCR2MAPK14MEN1KMT2A
SCHEMBL7784941 0.93 S1PR3 (0.38) MAPKAPK2CXCR2MAPK14MEN1KMT2A
SCHEMBL7785139 0.93 S1PR3 (0.40) MAPKAPK2CXCR2MAPK14TEAD4S1PR3
SCHEMBL7785672 0.92 S1PR3 (0.39) MAPKAPK2CXCR2MAPK14TEAD4S1PR3
Hydrochloric Acid SCHEMBL7801207 0.92 S1PR3 (0.38) MAPKAPK2CXCR2MAPK14MEN1KMT2A

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