SCHEMBL17993296

SCHEMBL17993296

CC(=O)OCC1O[C@H](Sc2cncc(Br)c2)C(OC(C)=O)[C@@H](n2cc(-c3cc(F)c(F)c(F)c3)nn2)[C@H]1OC(C)=O

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LGALS3 P17931 20/20 0.65
LGALS9 O00182 1/20 0.61
LGALS8 O00214 1/20 0.61
LGALS1 P09382 1/20 0.61
LGALS4 P56470 1/20 0.61

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
SCHEMBL19665427 1.00 LGALS3 (0.65) LGALS3LGALS9LGALS8LGALS1LGALS4
SCHEMBL23552317 1.00 LGALS3 (0.65) LGALS3LGALS9LGALS8LGALS1LGALS4
SCHEMBL23544493 1.00 LGALS3 (0.65) LGALS3LGALS9LGALS8LGALS1LGALS4
SCHEMBL23435629 1.00 LGALS3 (0.65) LGALS3LGALS9LGALS8LGALS1LGALS4
SCHEMBL23521243 0.94 LGALS3 (0.68) LGALS3LGALS9LGALS8LGALS1LGALS4
SCHEMBL21461349 0.94 LGALS3 (0.66) LGALS3LGALS9LGALS8LGALS1LGALS4
SCHEMBL21474320 0.94 LGALS3 (0.66) LGALS3LGALS9LGALS8LGALS1LGALS4
SCHEMBL19781751 0.94 LGALS3 (0.66) LGALS3LGALS9LGALS8LGALS1LGALS4
SCHEMBL22903143 0.93 LGALS3 (0.62) LGALS3LGALS9LGALS8LGALS1LGALS4
SCHEMBL19665319 0.93 LGALS3 (0.62) LGALS3LGALS9LGALS8LGALS1LGALS4

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-2016120403-A1 ALPHA-D-GALACTOSIDE INHIBITORS OF GALECTINS GALECTO BIOTECH AB (DK) 2016-08-04 WO disclosed