SCHEMBL3719044

SCHEMBL3719044

OC[C@H]1O[C@@H](S)[C@H](O)[C@H](n2cc(-c3ccsc3)nn2)[C@H]1O

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LGALS3 P17931 20/20 0.76
LGALS1 P09382 17/20 0.62
LGALS8 O00214 1/20 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
SCHEMBL19778161 0.86 LGALS3 (1.00) LGALS3LGALS1LGALS8
SCHEMBL23817076 0.86 LGALS3 (1.00) LGALS3LGALS1LGALS8
SCHEMBL26964205 0.84 LGALS3 (0.73) LGALS3LGALS1LGALS8
SCHEMBL22864885 0.83 LGALS3 (0.83) LGALS3LGALS1LGALS8
SCHEMBL177372 0.82 LGALS3 (0.74) LGALS3LGALS1LGALS8
SCHEMBL176329 0.80 LGALS3 (0.76) LGALS3LGALS1LGALS8
SCHEMBL17993057 0.79 LGALS3 (0.75) LGALS3LGALS1
SCHEMBL17964039 0.79 LGALS3 (0.75) LGALS3LGALS1
SCHEMBL22653964 0.78 LGALS1 (0.54) LGALS3LGALS1
SCHEMBL21189505 0.77 LGALS3 (1.00) LGALS3LGALS1LGALS8

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-2010126435-A1 NOVEL GALACTOSIDE INHIBITORS OF GALECTINS FORSKARPATENT I SYD AB (SE) 2010-11-04 WO claimed