SCHEMBL8540243

SCHEMBL8540243

Cc1ccc(S(=O)(=O)O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LGALS3 P17931 2/20 0.42
LGALS9 O00182 2/20 0.42
LGALS1 P09382 1/20 0.42
CA1 P00915 11/20 0.41
CA2 P00918 11/20 0.41
CA12 O43570 5/20 0.41
CA4 P22748 5/20 0.41
CA5A P35218 5/20 0.41
CA7 P43166 5/20 0.41
CA5B Q9Y2D0 5/20 0.41
SLC5A2 P31639 3/20 0.39
GRK6 P43250 1/20 0.38

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
SCHEMBL7645733 1.00 LGALS3 (0.42) LGALS3LGALS9LGALS1CA1CA2
SCHEMBL5215786 1.00 LGALS3 (0.42) LGALS3LGALS9LGALS1CA1CA2
SCHEMBL12244355 0.90 CYP2D6 (0.38) LGALS3LGALS9LGALS1
SCHEMBL1936165 0.87 CYP2D6 (0.39) LGALS3CA1CA12
SCHEMBL1936168 0.87 CYP2D6 (0.39) LGALS3CA1CA12
SCHEMBL28182370 0.84 SLC5A2 (0.48) LGALS9CA1CA2CA12CA4
SCHEMBL9609370 0.83 LGALS3 (0.44) LGALS3LGALS9LGALS1CA1CA2
SCHEMBL7645735 0.83 SLC5A2 (0.50) LGALS9CA1CA2CA12CA4
SCHEMBL5215790 0.83 SLC5A2 (0.50) LGALS9CA1CA2CA12CA4
SCHEMBL8540246 0.83 SLC5A2 (0.50) LGALS9CA1CA2CA12CA4

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-0824538-A1 SACCHAROPEPTIDES AND DERIVATIVES THEREOF GLYCOMED INCORPORATED (US) 1998-02-25 EP disclosed
WO-1996035700-A1 SACCHAROPEPTIDES AND DERIVATIVES THEREOF GLYCOMED INCORPORATED (US) 1996-11-14 WO disclosed