SCHEMBL7780322

SCHEMBL7780322

CCN(CC)CC.Cc1ccc(C(NC(C)c2ccc(F)c(F)c2)c2cccc(Nc3c(O)c(=O)c3=O)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 9/20 0.38
S1PR3 Q99500 1/20 0.36
MAPKAPK2 P49137 6/20 0.33
TEAD4 Q15561 1/20 0.33
PGR P06401 1/20 0.33
AR P10275 1/20 0.33
MAPK14 Q16539 2/20 0.32
CSF1R P07333 1/20 0.31

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
SCHEMBL7785139 0.94 S1PR3 (0.40) CXCR2S1PR3MAPKAPK2TEAD4PGR
Hydrochloric Acid SCHEMBL7780307 0.93 S1PR3 (0.39) CXCR2S1PR3MAPKAPK2TEAD4PGR
SCHEMBL7785672 0.93 S1PR3 (0.39) CXCR2S1PR3MAPKAPK2TEAD4PGR
SCHEMBL7785252 0.88 MAPKAPK2 (0.40) CXCR2MAPKAPK2TEAD4MAPK14
SCHEMBL7780735 0.87 MAPKAPK2 (0.38) CXCR2S1PR3MAPKAPK2TEAD4MAPK14
Hydrochloric Acid SCHEMBL7785103 0.87 MAPKAPK2 (0.40) CXCR2MAPKAPK2TEAD4MAPK14
SCHEMBL7789434 0.87 MAPKAPK2 (0.38) CXCR2S1PR3MAPKAPK2TEAD4MAPK14
Hydrochloric Acid SCHEMBL7803654 0.86 MAPKAPK2 (0.37) CXCR2S1PR3MAPKAPK2TEAD4MAPK14
SCHEMBL7801400 0.86 S1PR3 (0.38) CXCR2S1PR3MAPKAPK2MAPK14CSF1R
SCHEMBL7784941 0.86 S1PR3 (0.38) CXCR2S1PR3MAPKAPK2MAPK14CSF1R

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