SCHEMBL19976149

SCHEMBL19976149

COc1cc(OC)cc(C(=O)NC2C(O)[C@H](S[C@@H]3OC(CO)[C@H](O)C(NC(=O)c4cccc5ccccc45)C3O)OC(CO)[C@@H]2CO)c1

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ LGALS3 P17931 10/20 0.69
▸ LGALS7; LGALS7B P47929 8/20 0.69
▸ LGALS9 O00182 7/20 0.69
▸ LGALS8 O00214 5/20 0.69
▸ LGALS1 P09382 7/20 0.65
▸ GAPDH P04406 1/20 0.43

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
SCHEMBL19976148 0.96 LGALS3 (0.75) LGALS3LGALS7; LGALS7BLGALS9LGALS8LGALS1
SCHEMBL17681112 0.92 LGALS3 (0.69) LGALS3LGALS7; LGALS7BLGALS9LGALS8LGALS1
SCHEMBL19976146 0.88 LGALS3 (0.76) LGALS3LGALS7; LGALS7BLGALS9LGALS8LGALS1
SCHEMBL2431473 0.83 LGALS3 (1.00) LGALS3LGALS7; LGALS7BLGALS9LGALS8LGALS1
SCHEMBL13595431 0.83 LGALS3 (1.00) LGALS3LGALS7; LGALS7BLGALS9LGALS8LGALS1
SCHEMBL2431469 0.83 LGALS3 (1.00) LGALS3LGALS7; LGALS7BLGALS9LGALS8LGALS1
SCHEMBL13595410 0.83 LGALS3 (1.00) LGALS3LGALS7; LGALS7BLGALS9LGALS8LGALS1
SCHEMBL17681051 0.80 LGALS3 (0.76) LGALS3LGALS7; LGALS7BLGALS9LGALS8LGALS1
SCHEMBL19976150 0.80 LGALS3 (0.90) LGALS3LGALS7; LGALS7BLGALS9LGALS8LGALS1
SCHEMBL2430106 0.80 LGALS3 (0.88) LGALS3LGALS7; LGALS7BLGALS9LGALS8LGALS1

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
US-9921230-B2 Methods for diagnosis and treatment of concussion or brain injury RHODE ISLAND HOSPITAL (US) 2018-03-20 — — US disclosed
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