SCHEMBL12662964

SCHEMBL12662964

Cc1ccc(C2OC(CO)[C@@H](O)C(O)[C@H]2O)cc1Cc1cc2ccccc2s1

nearest known ligand 0.79

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 20/20 0.79
SLC5A1 P13866 4/20 0.77
SLC6A3 Q01959 2/20 0.77
CHRM1 P11229 1/20 0.77
ADRA1A P35348 1/20 0.77
ABCB11 O95342 1/20 0.61
ADORA3 P0DMS8 1/20 0.61
SLC6A4 P31645 1/20 0.61

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
SCHEMBL12426189 1.00 SLC5A2 (0.79) SLC5A2SLC5A1SLC6A3CHRM1ADRA1A
SCHEMBL12426037 0.88 SLC5A2 (1.00) SLC5A2SLC5A1SLC6A3CHRM1ADRA1A
SCHEMBL19312345 0.87 SLC5A2 (1.00) SLC5A2SLC5A1SLC6A3CHRM1ADRA1A
Ipragliflozin SCHEMBL11971945 0.87 SLC5A2 (1.00) SLC5A2SLC5A1SLC6A3CHRM1ADRA1A
SCHEMBL12426046 0.87 SLC5A2 (0.79) SLC5A2SLC5A1SLC6A3CHRM1ADRA1A
Ipragliflozin SCHEMBL24037936 0.87 SLC5A2 (1.00) SLC5A2SLC5A1SLC6A3CHRM1ADRA1A
SCHEMBL147932 0.87 SLC5A2 (1.00) SLC5A2SLC5A1SLC6A3CHRM1ADRA1A
Ipragliflozin SCHEMBL23731432 0.87 SLC5A2 (1.00) SLC5A2SLC5A1SLC6A3CHRM1ADRA1A
Ipragliflozin SCHEMBL337645 0.87 SLC5A2 (1.00) SLC5A2SLC5A1SLC6A3CHRM1ADRA1A
SCHEMBL9973937 0.87 SLC5A2 (1.00) SLC5A2SLC5A1SLC6A3CHRM1ADRA1A

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
EP-1980560-B1 C-glycoside derivatives for the treatment of diabetes ASTELLAS PHARMA INC (JP) 2011-05-25 EP disclosed