SCHEMBL176329

SCHEMBL176329

OC[C@H]1O[C@@H](S)[C@H](O)[C@@H](n2cc(-c3cccc(F)c3)nn2)[C@H]1O

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LGALS3 P17931 20/20 0.76
LGALS1 P09382 12/20 0.76
LGALS8 O00214 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
SCHEMBL30185321 0.91 LGALS3 (0.82) LGALS3LGALS1LGALS8
SCHEMBL26447294 0.91 LGALS3 (0.82) LGALS3LGALS1LGALS8
SCHEMBL22004385 0.91 LGALS3 (0.82) LGALS3LGALS1LGALS8
SCHEMBL177372 0.88 LGALS3 (0.74) LGALS3LGALS1LGALS8
SCHEMBL26964205 0.88 LGALS3 (0.73) LGALS3LGALS1LGALS8
SCHEMBL22243301 0.87 LGALS3 (0.85) LGALS3LGALS1LGALS8
SCHEMBL26429524 0.87 LGALS3 (0.76) LGALS3LGALS1LGALS8
SCHEMBL21756583 0.87 LGALS3 (0.85) LGALS3LGALS1LGALS8
SCHEMBL17432823 0.87 LGALS3 (0.85) LGALS3LGALS1LGALS8
Olitigaltin SCHEMBL23939583 0.86 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424873-A1 NOVEL GALACTOSIDE INHIBITORS OF GALECTINS Forskarpatent I SYD AB (SE) 2012-03-07 EP disclosed
WO-2010126435-A1 NOVEL GALACTOSIDE INHIBITORS OF GALECTINS FORSKARPATENT I SYD AB (SE) 2010-11-04 WO disclosed