SCHEMBL13626996

SCHEMBL13626996

CCc1ccc(Cc2cc(C3O[C@H](CO)[C@@H](O)[C@H](C)[C@H]3O)ccc2Cl)cc1

nearest known ligand 0.83

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 20/20 0.83
SLC5A1 P13866 11/20 0.83
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
SCHEMBL12770255 0.91 SLC5A2 (0.83) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL12781952 0.91 SLC5A2 (1.00) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL207789 0.91 SLC5A2 (1.00) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL29837082 0.91 SLC5A2 (1.00) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL13626079 0.91 SLC5A2 (1.00) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL17034642 0.91 SLC5A2 (1.00) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL14648451 0.89 SLC5A2 (0.85) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL18265042 0.89 SLC5A2 (0.85) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL12781996 0.86 SLC5A2 (0.82) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL12781950 0.85 SLC5A2 (0.67) 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-2009143021-A1 METHOD FOR TREATING AND PREVENTING KIDNEY STONES EMPLOYING AN SGLT2 INHIBITOR AND COMPOSITION CONTAINING SAME BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-26 WO disclosed