SCHEMBL27938482

SCHEMBL27938482

C#Cc1ccc(Cc2ccc([C@@]3(O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 20/20 0.44
SLC5A1 P13866 18/20 0.44

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
SCHEMBL1456751 0.88 SLC5A2 (0.44) SLC5A2SLC5A1
SCHEMBL27688125 0.88 SLC5A2 (0.44) SLC5A2SLC5A1
SCHEMBL27945371 0.85 SLC5A2 (0.45) SLC5A2SLC5A1
SCHEMBL1146849 0.85 SLC5A2 (0.59) SLC5A2SLC5A1
SCHEMBL1457366 0.85 SLC5A2 (0.45) SLC5A2SLC5A1
SCHEMBL2868444 0.85 SLC5A2 (0.45) SLC5A2SLC5A1
SCHEMBL27669071 0.85 SLC5A2 (0.59) SLC5A2SLC5A1
SCHEMBL27688128 0.85 SLC5A2 (0.45) SLC5A2SLC5A1
Water SCHEMBL28772065 0.85 SLC5A2 (0.58) SLC5A2SLC5A1
SCHEMBL2863263 0.83 SLC5A2 (0.43) SLC5A2SLC5A1

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
CN-103601709-A Glucopyranosyl-substituted benzonitrile derivatives, pharmaceutical compositions containing such compounds, their use and process for their manufacture BOEHRINGER INGELHEIM INT 2014-02-26 CN disclosed