SCHEMBL9611980

SCHEMBL9611980

CCOc1ccc(CC2=C(Cl)C=CCC2C2OC[C@@H](O)[C@H](O)[C@H]2O)cc1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 18/20 0.38
SLC5A1 P13866 9/20 0.38
ADRA2A P08913 1/20 0.35
SLC5A11 Q8WWX8 1/20 0.35

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
SCHEMBL23735650 0.75 SMN1; SMN2 (0.42) SLC5A2SLC5A1
SCHEMBL882697 0.73 SLC5A2 (0.37) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL9611996 0.68 SLC5A2 (0.47) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL1035551 0.66 SLC5A2 (0.72) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL22942125 0.66 SLC5A2 (0.72) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL1035552 0.66 SLC5A2 (0.72) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL1666220 0.66 SLC5A2 (0.72) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL1035411 0.66 SLC5A2 (0.72) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL14305460 0.63 SLC5A2 (0.65) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL14305459 0.61 SLC5A2 (0.59) 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-2457918-A2 Crystalline solvates and complexes of (1s)-1,5-anhydro-1-c-(3-((phenyl) methyl) phenyl)-d-glucitol derivatives with amino acids as SGLT2 inhibitors for the treatment of diabetes Bristol-Myers Squibb Company (US) 2012-05-30 EP disclosed