SCHEMBL19976148

SCHEMBL19976148

COc1cc(OC)cc(C(=O)NC2C(O)[C@@H](CO)O[C@@H](SC3OC(CO)C(O)C(NC(=O)c4cccc5ccccc45)C3O)C2O)c1

nearest known ligand 0.75

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ LGALS3 P17931 10/20 0.75
▸ LGALS7; LGALS7B P47929 8/20 0.75
▸ LGALS9 O00182 7/20 0.75
▸ LGALS8 O00214 5/20 0.75
▸ LGALS1 P09382 7/20 0.70
▸ GAPDH P04406 1/20 0.45
▸ 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
SCHEMBL19976149 0.96 LGALS3 (0.69) LGALS3LGALS7; LGALS7BLGALS9LGALS8LGALS1
SCHEMBL17681112 0.96 LGALS3 (0.69) LGALS3LGALS7; LGALS7BLGALS9LGALS8LGALS1
SCHEMBL13595431 0.87 LGALS3 (1.00) LGALS3LGALS7; LGALS7BLGALS9LGALS8LGALS1
SCHEMBL2431469 0.87 LGALS3 (1.00) LGALS3LGALS7; LGALS7BLGALS9LGALS8LGALS1
SCHEMBL13595410 0.87 LGALS3 (1.00) LGALS3LGALS7; LGALS7BLGALS9LGALS8LGALS1
SCHEMBL2431473 0.87 LGALS3 (1.00) LGALS3LGALS7; LGALS7BLGALS9LGALS8LGALS1
SCHEMBL17681051 0.83 LGALS3 (0.76) LGALS3LGALS7; LGALS7BLGALS9LGALS8LGALS1
SCHEMBL19976146 0.83 LGALS3 (0.76) LGALS3LGALS7; LGALS7BLGALS9LGALS8LGALS1
SCHEMBL13595411 0.83 LGALS3 (1.00) LGALS3LGALS7; LGALS7BLGALS9LGALS8LGALS1
SCHEMBL2432167 0.83 LGALS3 (1.00) 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
Send feedback