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SCHEMBL4257564

SCHEMBL4257564

COc1ccc(COCC(OB(OC(COCc2ccc(OC)cc2)C(C)C)OC(COCc2ccc(OC)cc2)C(C)C)C(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.51
▸ CA2 P00918 1/20 0.51
▸ IDO1 P14902 3/20 0.43
▸ AGXT P21549 2/20 0.43
▸ APP P05067 7/20 0.42
▸ TBXAS1 P24557 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MAOB P27338 1/20 0.38

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
SCHEMBL4257566 0.88 CA1 (0.52) CA1CA2IDO1AGXTAPP
SCHEMBL4256434 0.79 CA1 (0.53) CA1CA2IDO1AGXTAPP
SCHEMBL4258715 0.79 CA1 (0.53) CA1CA2IDO1AGXTAPP
SCHEMBL2608864 0.78 CA1 (0.62) CA1CA2IDO1AGXTAPP
SCHEMBL15292337 0.77 CA1 (0.47) CA1CA2IDO1AGXTAPP
SCHEMBL15292334 0.77 CA1 (0.47) CA1CA2IDO1AGXTAPP
SCHEMBL12474868 0.75 SLC6A4 (0.61) CA1CA2IDO1AGXTAPP
SCHEMBL12697374 0.75 SLC6A4 (0.61) CA1CA2IDO1AGXTAPP
SCHEMBL15831104 0.75 CA1 (0.68) CA1CA2IDO1AGXTAPP
SCHEMBL4253460 0.73 IDO1 (0.48) CA1CA2IDO1AGXTAPP

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009046098-A1 NOVEL CYCLIC BORONATE INHIBITORS OF HCV REPLICATION SMITHKLINE BEECHAM CORPORATION (US) 2009-04-09 — — WO disclosed