SCHEMBL14625564

SCHEMBL14625564

CP(C)(=O)CCc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 20/20 0.72
SLC5A1 P13866 14/20 0.72
ADRA2A P08913 1/20 0.66
SLC5A11 Q8WWX8 1/20 0.66

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
SCHEMBL14595214 0.94 SLC5A2 (0.70) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL14595206 0.90 SLC5A2 (0.75) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL14625565 0.89 SLC5A2 (0.72) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL5284566 0.88 SLC5A2 (0.75) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL13395534 0.86 SLC5A2 (0.81) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL5433401 0.85 SLC5A2 (0.77) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL14595215 0.85 SLC5A2 (0.70) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL12750452 0.84 SLC5A2 (0.83) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL796771 0.84 SLC5A2 (0.83) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL13626079 0.84 SLC5A2 (1.00) SLC5A2SLC5A1ADRA2ASLC5A11

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-2007000445-A1 GLUCOPYRANOSYL-SUBSTITUTED BENZYL-BENZENE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR MANUFACTURE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-01-04 WO disclosed