Thiodigalactoside

Thiodigalactoside

SCHEMBL4758536

OC[C@H]1OC(SC2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LGALS3 P17931 11/20 1.00
LGALS1 P09382 5/20 1.00
LGALS9 O00182 4/20 1.00
LGALS8 O00214 1/20 1.00
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA4 P22748 2/20 0.45
CA5A P35218 2/20 0.45
CA7 P43166 2/20 0.45
CA5B Q9Y2D0 2/20 0.45
LGALS7; LGALS7B P47929 2/20 0.44

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
Thiodigalactoside SCHEMBL13385542 1.00 LGALS3 (1.00) LGALS3LGALS1LGALS9LGALS8CA12
Thiodigalactoside SCHEMBL5520730 1.00 LGALS3 (1.00) LGALS3LGALS1LGALS9LGALS8CA12
Thiodigalactoside SCHEMBL13404791 1.00 LGALS3 (1.00) LGALS3LGALS1LGALS9LGALS8CA12
Thiodigalactoside SCHEMBL7642586 1.00 LGALS3 (1.00) LGALS3LGALS1LGALS9LGALS8CA12
Thiodigalactoside SCHEMBL116443 1.00 LGALS3 (1.00) LGALS3LGALS1LGALS9LGALS8CA12
Thiodigalactoside SCHEMBL15150644 1.00 LGALS3 (1.00) LGALS3LGALS1LGALS9LGALS8CA12
Thiodigalactoside SCHEMBL28458993 1.00 LGALS3 (1.00) LGALS3LGALS1LGALS9LGALS8CA12
Thiodigalactoside SCHEMBL13770726 1.00 LGALS3 (1.00) LGALS3LGALS1LGALS9LGALS8CA12
Thiodigalactoside SCHEMBL5520725 1.00 LGALS3 (1.00) LGALS3LGALS1LGALS9LGALS8CA12
SCHEMBL13770716 0.88 LGALS3 (0.78) LGALS3LGALS1LGALS9LGALS8CA12

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
WO-2008005529-A2 CELL-MEDIATED DIRECTED EVOLUTION THE TRUSTEES COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2008-01-10 WO disclosed