SCHEMBL5326829

SCHEMBL5326829

COc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC5A1 P13866 1/20 0.63
SLC5A2 P31639 1/20 0.63
CA12 O43570 2/20 0.60
CA1 P00915 2/20 0.60
CA2 P00918 2/20 0.60
CA4 P22748 2/20 0.60
CA5A P35218 2/20 0.60
CA7 P43166 2/20 0.60
CA5B Q9Y2D0 2/20 0.60
LGALS3 P17931 6/20 0.57
LGALS9 O00182 4/20 0.57
LGALS7; LGALS7B P47929 2/20 0.57
LGALS1 P09382 3/20 0.49
LGALS8 O00214 2/20 0.49

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
SCHEMBL19664276 1.00 SLC5A1 (0.63) SLC5A1SLC5A2CA12CA1CA2
SCHEMBL5326843 1.00 SLC5A1 (0.63) SLC5A1SLC5A2CA12CA1CA2
SCHEMBL10933223 1.00 SLC5A1 (0.63) SLC5A1SLC5A2CA12CA1CA2
SCHEMBL11058689 0.90 CA12 (0.64) SLC5A1SLC5A2CA12CA1CA2
SCHEMBL11050894 0.88 SLC5A1 (0.53) SLC5A1SLC5A2CA12CA1CA2
SCHEMBL3322973 0.84 CA12 (0.64) SLC5A2CA12CA1CA2CA4
SCHEMBL19818850 0.84 CA12 (0.64) SLC5A2CA12CA1CA2CA4
SCHEMBL3824089 0.84 CA12 (0.64) SLC5A2CA12CA1CA2CA4
SCHEMBL17683647 0.84 CA12 (0.64) SLC5A2CA12CA1CA2CA4
SCHEMBL2163405 0.84 CA12 (0.64) SLC5A2CA12CA1CA2CA4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007128480-A2 THIOGLYCOSIDES AS PHARMACEUTICALLY ACTIVE AGENTS MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2007-11-15 WO claimed
WO-2007128480-A2 THIOGLYCOSIDES AS PHARMACEUTICALLY ACTIVE AGENTS MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2007-11-15 WO disclosed