SCHEMBL20677306

SCHEMBL20677306

O=C(O)c1ccc(C(=O)O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)O[C@@H]3CO)O[C@H](CO)[C@H](O)[C@@H]2O)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LGALS3 P17931 5/20 0.47
LGALS9 O00182 4/20 0.47
LGALS1 P09382 4/20 0.47
LGALS7; LGALS7B P47929 3/20 0.47
LGALS8 O00214 1/20 0.43
HSP90AA1 P07900 2/20 0.42
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA9 Q16790 3/20 0.41
CA14 Q9ULX7 3/20 0.41
LGALS4 P56470 1/20 0.40
AMY2A P04746 1/20 0.40

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
SCHEMBL22774114 0.90 LGALS3 (0.46) LGALS3LGALS9LGALS1LGALS7; LGALS7BLGALS8
Cellobiose SCHEMBL20677307 0.88 CA12 (0.49) LGALS3LGALS9LGALS1LGALS7; LGALS7BLGALS8
SCHEMBL16271208 0.84 LGALS3 (0.62) LGALS3LGALS9LGALS1LGALS7; LGALS7BLGALS8
SCHEMBL8952700 0.81 LGALS3 (0.46) LGALS3LGALS9LGALS1LGALS7; LGALS7BCA12
SCHEMBL11725244 0.80 LGALS8 (0.43) LGALS3LGALS9LGALS1LGALS7; LGALS7BLGALS8
SCHEMBL3931901 0.80 LGALS8 (0.43) LGALS3LGALS9LGALS1LGALS7; LGALS7BLGALS8
SCHEMBL7528893 0.80 LGALS9 (0.59) LGALS3LGALS9LGALS1LGALS7; LGALS7BLGALS8
SCHEMBL19951544 0.79 LGALS8 (0.42) LGALS3LGALS9LGALS1LGALS7; LGALS7BLGALS8
Cellobiose SCHEMBL9109171 0.79 TYR (0.45) LGALS3LGALS9LGALS1LGALS7; LGALS7BLGALS8
SCHEMBL2509267 0.79 LGALS9 (0.46) LGALS3LGALS9LGALS1LGALS7; LGALS7BCA12

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
EP-3433374-A1 GLYCOSYLATED MONO(2-HYDROXYETHYL) TEREPHTHALIC ACID AND GLYCOSYLATED BIS(2-HYDROXYETHYL) TEREPHTHALIC ACID Julius-Maximilians-Universitaet Wuerzburg (DE) 2019-01-30 EP disclosed