SCHEMBL19976150

SCHEMBL19976150

O=C(NC1C(O)[C@H](S[C@@H]2OC(CO)[C@H](CO)C(NC(=O)c3ccc4ccccc4c3)C2O)OC(CO)[C@@H]1O)c1ccc2ccccc2c1

nearest known ligand 0.90

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LGALS3 P17931 12/20 0.90
LGALS9 O00182 6/20 0.90
LGALS7; LGALS7B P47929 6/20 0.90
LGALS1 P09382 6/20 0.90
LGALS8 O00214 3/20 0.63
HK1 P19367 2/20 0.44
HK2 P52789 2/20 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
SCHEMBL22243318 0.95 LGALS3 (1.00) LGALS3LGALS9LGALS7; LGALS7BLGALS1LGALS8
SCHEMBL2431420 0.95 LGALS3 (1.00) LGALS3LGALS9LGALS7; LGALS7BLGALS1LGALS8
SCHEMBL13595414 0.95 LGALS3 (1.00) LGALS3LGALS9LGALS7; LGALS7BLGALS1LGALS8
SCHEMBL16234119 0.95 LGALS3 (1.00) LGALS3LGALS9LGALS7; LGALS7BLGALS1LGALS8
SCHEMBL2431423 0.95 LGALS3 (1.00) LGALS3LGALS9LGALS7; LGALS7BLGALS1LGALS8
SCHEMBL15720125 0.95 LGALS3 (1.00) LGALS3LGALS9LGALS7; LGALS7BLGALS1LGALS8
SCHEMBL19976146 0.92 LGALS3 (0.76) LGALS3LGALS9LGALS7; LGALS7BLGALS1LGALS8
SCHEMBL17681081 0.89 LGALS3 (0.88) LGALS3LGALS9LGALS7; LGALS7BLGALS1LGALS8
SCHEMBL17414604 0.86 LGALS3 (0.84) LGALS3LGALS9LGALS7; LGALS7BLGALS1LGALS8
SCHEMBL14439460 0.86 LGALS3 (0.84) 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