SCHEMBL12336552

SCHEMBL12336552

COc1ccc([C@@H]2S[C@H](CO)C[C@H](O)[C@H]2O)cc1Cc1cc2ccccc2s1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 19/20 0.62
SLC5A1 P13866 12/20 0.47
CHRM1 P11229 1/20 0.44
ADRA1A P35348 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37

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
SCHEMBL12257574 0.85 SLC5A2 (0.71) SLC5A2SLC5A1CHRM1ADRA1ASLC6A3
SCHEMBL12336581 0.81 SLC5A2 (0.59) SLC5A2SLC5A1CHRM1ADRA1ASLC6A3
SCHEMBL2201764 0.77 SLC5A2 (1.00) SLC5A2SLC5A1CHRM1ADRA1ASLC6A3
SCHEMBL17480515 0.77 SLC5A2 (0.64) SLC5A2SLC5A1CHRM1ADRA1ASLC6A3
SCHEMBL21697631 0.76 SLC5A2 (0.60) SLC5A2SLC5A1CHRM1ADRA1ASLC6A3
SCHEMBL12336875 0.76 SLC5A2 (0.74) SLC5A2SLC5A1
SCHEMBL12257581 0.72 SLC5A2 (0.57) SLC5A2SLC5A1CHRM1ADRA1ASLC6A3
SCHEMBL16009819 0.72 SLC5A2 (0.68) SLC5A2SLC5A1CHRM1ADRA1ASLC6A3
SCHEMBL16018606 0.72 SLC5A2 (0.68) SLC5A2SLC5A1CHRM1ADRA1ASLC6A3
SCHEMBL12257454 0.70 SLC5A2 (0.51) SLC5A2SLC5A1CHRM1ADRA1ASLC6A3

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-1845095-B1 1-THIO-D-GLUCITOL DERIVATIVES TAISHO PHARMACEUTICAL CO LTD (JP) 2011-09-07 EP disclosed