SCHEMBL4557748

SCHEMBL4557748

OC[C@H]1O[C@@H](c2ccc(Cl)c(Cc3ccc(OC4CC4)cc3)c2)[C@H](O)[C@@H](O)C1O

nearest known ligand 0.84

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 20/20 0.84
SLC5A1 P13866 18/20 0.84
ADRA2A P08913 1/20 0.76
SLC5A11 Q8WWX8 1/20 0.76

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
SCHEMBL12167109 1.00 SLC5A2 (0.84) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL13380366 0.97 SLC5A2 (0.79) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL14572640 0.97 SLC5A2 (0.79) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL1457108 0.97 SLC5A2 (0.82) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL12167094 0.97 SLC5A2 (0.82) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL1456752 0.96 SLC5A2 (0.81) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL12167067 0.96 SLC5A2 (0.81) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL13380361 0.95 SLC5A2 (0.77) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL14572682 0.95 SLC5A2 (0.77) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL14148037 0.95 SLC5A2 (0.77) 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-1730131-B1 GLUCOPYRANOSYL-SUBSTITUTED BENZOL DERIVATIVES, DRUGS CONTAINING SAID COMPOUNDS, THE USE THEREOF AND METHOD FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM INT (DE) 2012-05-09 EP disclosed