SCHEMBL19976146

SCHEMBL19976146

COc1cc(OC)cc(C(=O)NC2C(O)[C@H](S[C@@H]3OC(CO)[C@H](O)C(NC(=O)c4ccc5ccccc5c4)C3O)OC(CO)[C@@H]2CO)c1

nearest known ligand 0.76

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ LGALS3 P17931 9/20 0.76
▸ LGALS9 O00182 6/20 0.76
▸ LGALS7; LGALS7B P47929 6/20 0.76
▸ LGALS1 P09382 6/20 0.76
▸ LGALS8 O00214 4/20 0.74
▸ ALDH1A1 P00352 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
SCHEMBL19976150 0.92 LGALS3 (0.90) LGALS3LGALS9LGALS7; LGALS7BLGALS1LGALS8
SCHEMBL17681051 0.91 LGALS3 (0.76) LGALS3LGALS9LGALS7; LGALS7BLGALS1LGALS8
SCHEMBL19976149 0.88 LGALS3 (0.69) LGALS3LGALS9LGALS7; LGALS7BLGALS1LGALS8
SCHEMBL2431420 0.87 LGALS3 (1.00) LGALS3LGALS9LGALS7; LGALS7BLGALS1LGALS8
SCHEMBL16234119 0.87 LGALS3 (1.00) LGALS3LGALS9LGALS7; LGALS7BLGALS1LGALS8
SCHEMBL15720125 0.87 LGALS3 (1.00) LGALS3LGALS9LGALS7; LGALS7BLGALS1LGALS8
SCHEMBL13595414 0.87 LGALS3 (1.00) LGALS3LGALS9LGALS7; LGALS7BLGALS1LGALS8
SCHEMBL2431423 0.87 LGALS3 (1.00) LGALS3LGALS9LGALS7; LGALS7BLGALS1LGALS8
SCHEMBL22243318 0.87 LGALS3 (1.00) LGALS3LGALS9LGALS7; LGALS7BLGALS1LGALS8
SCHEMBL2431469 0.86 LGALS3 (1.00) LGALS3LGALS9LGALS7; LGALS7BLGALS1LGALS8

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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