SCHEMBL17623565

SCHEMBL17623565

CCOc1ccc(Cc2cc([C@@H]3O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SLC5A2 P31639 19/20 0.76
▸ SLC5A1 P13866 10/20 0.76
▸ ADRA2A P08913 1/20 0.76
▸ SLC5A11 Q8WWX8 1/20 0.76

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
SCHEMBL15906633 0.91 SLC5A2 (0.63) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL18265028 0.91 SLC5A2 (0.63) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL17189397 0.90 SLC5A2 (0.62) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL18265012 0.90 SLC5A2 (0.72) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL27413751 0.89 SLC5A2 (0.61) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL19867561 0.89 SLC5A2 (0.81) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL18265051 0.87 SLC5A2 (0.86) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL12285731 0.87 SLC5A2 (0.86) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL12108733 0.87 SLC5A2 (0.86) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL2383465 0.86 SLC5A2 (0.72) 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-2016041470-A1 SGLT-2 INHIBITORS NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2016-03-24 — — WO disclosed
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