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SCHEMBL2431473

SCHEMBL2431473

COc1cc(OC)cc(C(=O)N[C@@H]2[C@@H](O)[C@@H](CO)O[C@@H](S[C@@H]3O[C@H](CO)[C@H](O)[C@@H](NC(=O)c4cc(OC)cc(OC)c4)[C@H]3O)[C@@H]2O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ LGALS3 P17931 11/20 1.00
▸ LGALS9 O00182 6/20 1.00
▸ LGALS7; LGALS7B P47929 6/20 1.00
▸ LGALS8 O00214 4/20 1.00
▸ LGALS1 P09382 6/20 0.80
▸ ALDH1A1 P00352 1/20 0.47
▸ AKR1B1 P15121 1/20 0.44

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
SCHEMBL13595431 1.00 LGALS3 (1.00) LGALS3LGALS9LGALS7; LGALS7BLGALS8LGALS1
SCHEMBL2431469 1.00 LGALS3 (1.00) LGALS3LGALS9LGALS7; LGALS7BLGALS8LGALS1
SCHEMBL13595410 1.00 LGALS3 (1.00) LGALS3LGALS9LGALS7; LGALS7BLGALS8LGALS1
SCHEMBL17681089 0.95 LGALS3 (0.90) LGALS3LGALS9LGALS7; LGALS7BLGALS8LGALS1
SCHEMBL2430106 0.93 LGALS3 (0.88) LGALS3LGALS9LGALS7; LGALS7BLGALS8LGALS1
SCHEMBL2430110 0.93 LGALS3 (0.88) LGALS3LGALS9LGALS7; LGALS7BLGALS8LGALS1
SCHEMBL2432167 0.89 LGALS3 (1.00) LGALS3LGALS9LGALS7; LGALS7BLGALS8LGALS1
SCHEMBL2432165 0.89 LGALS3 (1.00) LGALS3LGALS9LGALS7; LGALS7BLGALS8LGALS1
SCHEMBL13595411 0.89 LGALS3 (1.00) LGALS3LGALS9LGALS7; LGALS7BLGALS8LGALS1
SCHEMBL13595433 0.89 LGALS3 (1.00) LGALS3LGALS9LGALS7; LGALS7BLGALS8LGALS1

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-1751171-B1 NOVEL GALACTOSIDE INHIBITORS OF GALECTINS FORSKARPATENT I SYD AB (SE) 2011-09-21 — — EP disclosed