SCHEMBL7787503

SCHEMBL7787503

COc1ccc(C(NC(C)c2ccc(F)c(F)c2)c2cc(Nc3c(OC(C)(C)C)c(=O)c3=O)ccc2OC)cc1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.33
MAPT P10636 2/20 0.32
HTT P42858 2/20 0.32
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPKAPK2 P49137 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
GAA P10253 1/20 0.31
P2RX3 P56373 1/20 0.30
CYP2D6 P10635 1/20 0.30
PDE2A O00408 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
SCHEMBL7780518 0.94 MAPKAPK2 (0.34) POLBMAPKAPK2
SCHEMBL7780535 0.94 POLB (0.35) POLBMAPTHTTALDH1A1L3MBTL1
SCHEMBL7780084 0.92 MAPKAPK2 (0.38) POLBHTTALDH1A1MAPKAPK2MEN1
SCHEMBL7780353 0.91 POLB (0.34) POLBHTTALDH1A1MAPKAPK2MEN1
SCHEMBL7780305 0.86 KMT2A (0.38) POLBHTTALDH1A1MAPKAPK2MEN1
SCHEMBL7787653 0.86 KMT2A (0.38) POLBHTTALDH1A1MAPKAPK2MEN1
SCHEMBL7785270 0.86 KMT2A (0.38) POLBHTTALDH1A1MAPKAPK2MEN1
SCHEMBL7801234 0.86 THRA (0.36) POLBMAPTHTTALDH1A1L3MBTL1
SCHEMBL7789041 0.85 KMT2A (0.36) POLBMAPTHTTALDH1A1MAPKAPK2
SCHEMBL7785294 0.83 ALDH1A1 (0.31) MAPTHTTALDH1A1L3MBTL1GAA

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