SCHEMBL20646294

SCHEMBL20646294

CCOc1ccc(Cc2cc([C@@H]3OCC(CO)[C@@H](O)C(O)C3O)ccc2Cl)cc1

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 19/20 0.71
SLC5A1 P13866 11/20 0.71
ADRA2A P08913 1/20 0.71
SLC5A11 Q8WWX8 1/20 0.71

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
SCHEMBL1035552 0.89 SLC5A2 (0.72) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL22942125 0.89 SLC5A2 (0.72) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL1666220 0.89 SLC5A2 (0.72) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL1035411 0.89 SLC5A2 (0.72) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL1035551 0.89 SLC5A2 (0.72) SLC5A2SLC5A1ADRA2ASLC5A11
Dapagliflozin SCHEMBL23542057 0.83 SLC5A2 (1.00) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL22931090 0.83 SLC5A2 (0.63) SLC5A2SLC5A1ADRA2ASLC5A11
Dapagliflozin SCHEMBL15281296 0.83 SLC5A2 (1.00) SLC5A2SLC5A1ADRA2ASLC5A11
Dapagliflozin SCHEMBL499725 0.83 SLC5A2 (1.00) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL20126427 0.83 SLC5A2 (0.65) 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
EP-3024442-B1 FORMULATIONS CONTAINING AMORPHOUS DAPAGLIFLOZIN SANDOZ AG (CH) 2019-01-16 EP disclosed