SCHEMBL7787572

SCHEMBL7787572

Cc1ccc(C(N[C@H](C)c2cccc(F)c2)c2cccc(Nc3c(O)c(=O)c3=O)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 7/20 0.41
S1PR3 Q99500 1/20 0.39
RAPGEF4 Q8WZA2 1/20 0.38
TEAD4 Q15561 2/20 0.36
MTOR P42345 1/20 0.35
CXCR2 P25025 4/20 0.35
CXCR1 P25024 1/20 0.35
PGR P06401 1/20 0.34
AR P10275 1/20 0.34
MAPK14 Q16539 1/20 0.34
PTGER4 P35408 1/20 0.34
THRA P10827 1/20 0.33
THRB P10828 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
SCHEMBL7780573 0.94 S1PR3 (0.39) MAPKAPK2S1PR3RAPGEF4TEAD4CXCR2
SCHEMBL7785305 0.94 MAPKAPK2 (0.42) MAPKAPK2RAPGEF4TEAD4MTORCXCR2
SCHEMBL7785614 0.94 MAPKAPK2 (0.42) MAPKAPK2RAPGEF4TEAD4MTORCXCR2
Hydrochloric Acid SCHEMBL7801302 0.93 S1PR3 (0.38) MAPKAPK2S1PR3RAPGEF4TEAD4CXCR2
Hydrochloric Acid SCHEMBL7780386 0.93 MAPKAPK2 (0.41) MAPKAPK2RAPGEF4TEAD4MTORCXCR2
SCHEMBL7787894 0.93 MAPKAPK2 (0.47) MAPKAPK2TEAD4MTORCXCR2CXCR1
Hydrochloric Acid SCHEMBL7785463 0.92 MAPKAPK2 (0.46) MAPKAPK2TEAD4MTORCXCR2CXCR1
SCHEMBL7785139 0.91 S1PR3 (0.40) MAPKAPK2S1PR3RAPGEF4TEAD4CXCR2
SCHEMBL7787803 0.91 MAPKAPK2 (0.40) MAPKAPK2S1PR3RAPGEF4TEAD4MTOR
Hydrochloric Acid SCHEMBL7780307 0.90 S1PR3 (0.39) MAPKAPK2S1PR3RAPGEF4TEAD4CXCR2

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