SCHEMBL7780535

SCHEMBL7780535

COc1ccc(C(NC(C)c2ccc(F)c(F)c2)c2cc(Nc3c(OC(C)(C)C)c(=O)c3=O)ccc2F)cc1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.35
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPKAPK2 P49137 3/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPK14 Q16539 1/20 0.31
PLK1 P53350 1/20 0.30

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
SCHEMBL7787503 0.94 POLB (0.33) POLBALDH1A1MAPTHTTL3MBTL1
SCHEMBL7780305 0.89 KMT2A (0.38) POLBALDH1A1HTTMAPKAPK2MEN1
SCHEMBL7787653 0.89 KMT2A (0.38) POLBALDH1A1HTTMAPKAPK2MEN1
SCHEMBL7785270 0.89 KMT2A (0.38) POLBALDH1A1HTTMAPKAPK2MEN1
SCHEMBL7780518 0.88 MAPKAPK2 (0.34) POLBMAPKAPK2MAPK14PLK1
SCHEMBL7780084 0.86 MAPKAPK2 (0.38) POLBALDH1A1HTTMAPKAPK2MEN1
SCHEMBL7785294 0.85 ALDH1A1 (0.31) ALDH1A1MAPTHTTL3MBTL1
Hydrochloric Acid SCHEMBL7795516 0.84 THRA (0.37) POLBALDH1A1MAPTHTTL3MBTL1
SCHEMBL7780353 0.84 POLB (0.34) POLBALDH1A1HTTMAPKAPK2MEN1
SCHEMBL7789041 0.84 KMT2A (0.36) POLBALDH1A1MAPTHTTMAPKAPK2

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