SCHEMBL175953

SCHEMBL175953

OC[C@H]1O[C@@H](S)[C@H](O)[C@@H](n2cc(-c3ccccc3F)nn2)[C@H]1O

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LGALS3 P17931 19/20 0.71
LGALS1 P09382 10/20 0.62
MDM4 O15151 1/20 0.53
TP53 P04637 1/20 0.53
MDM2 Q00987 1/20 0.53
LGALS8 O00214 1/20 0.52

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
SCHEMBL12549927 1.00 LGALS3 (0.71) LGALS3LGALS1MDM4TP53MDM2
SCHEMBL15806284 1.00 LGALS3 (0.71) LGALS3LGALS1MDM4TP53MDM2
SCHEMBL12572815 1.00 LGALS3 (0.71) LGALS3LGALS1MDM4TP53MDM2
SCHEMBL12550148 0.87 LGALS3 (0.55) LGALS3LGALS1LGALS8
SCHEMBL12572816 0.86 LGALS3 (0.55) LGALS3LGALS1LGALS8
SCHEMBL15806280 0.86 LGALS3 (0.55) LGALS3LGALS1LGALS8
SCHEMBL1955106 0.86 LGALS3 (0.83) LGALS3LGALS1LGALS8
SCHEMBL1955104 0.86 LGALS3 (0.83) LGALS3LGALS1LGALS8
SCHEMBL3284264 0.84 LGALS3 (0.80) LGALS3LGALS1LGALS8
SCHEMBL26964205 0.84 LGALS3 (0.73) 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