SCHEMBL13626285

SCHEMBL13626285

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

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 18/20 0.56
SLC5A1 P13866 8/20 0.56
ADRA2A P08913 1/20 0.56
SLC5A11 Q8WWX8 1/20 0.56

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
SCHEMBL10177079 0.95 SLC5A2 (0.56) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL10328153 0.93 SLC5A2 (0.56) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL18511213 0.93 SLC5A2 (0.56) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL18511220 0.93 SLC5A2 (0.56) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL10228164 0.93 SLC5A2 (0.58) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL19182955 0.93 SLC5A2 (0.58) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL18522185 0.93 SLC5A2 (0.58) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL18214898 0.93 SLC5A2 (0.58) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL16730394 0.93 SLC5A2 (0.58) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL15030927 0.93 SLC5A2 (0.58) 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-2009143010-A1 METHOD FOR TREATING HYPONATREMIA EMPLOYING AN SGLT2 INHIBITOR AND COMPOSITION CONTAINING SAME BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-26 WO disclosed