SCHEMBL19976155

SCHEMBL19976155

CO[C@@H]1OC(CO)[C@@H](O[C@@H]2OC(CO)[C@H](O)C(NC(=O)OCc3ccccc3)C2O)C(O)C1NC(C)=O

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ LGALS3 P17931 9/20 0.68
▸ LGALS7; LGALS7B P47929 3/20 0.66
▸ LGALS1 P09382 1/20 0.66
▸ LGALS9 O00182 3/20 0.58
▸ LGALS8 O00214 2/20 0.52
▸ LGALS4 P56470 1/20 0.46
▸ POLB P06746 1/20 0.43
▸ MAG P20916 1/20 0.42

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
SCHEMBL5356738 0.85 LGALS3 (0.82) LGALS3LGALS7; LGALS7BLGALS1LGALS9LGALS8
SCHEMBL5356735 0.85 LGALS3 (0.82) LGALS3LGALS7; LGALS7BLGALS1LGALS9LGALS8
SCHEMBL8537936 0.85 LGALS8 (0.61) LGALS3LGALS8POLB
SCHEMBL9238485 0.85 LGALS8 (0.61) LGALS3LGALS8POLB
SCHEMBL8537938 0.85 LGALS8 (0.61) LGALS3LGALS8POLB
SCHEMBL5351233 0.84 LGALS3 (0.71) LGALS3LGALS7; LGALS7BLGALS1LGALS9LGALS8
SCHEMBL5351236 0.84 LGALS3 (0.71) LGALS3LGALS7; LGALS7BLGALS1LGALS9LGALS8
SCHEMBL5354309 0.84 LGALS3 (0.84) LGALS3LGALS7; LGALS7BLGALS1LGALS9LGALS8
SCHEMBL17097341 0.84 LGALS3 (0.84) LGALS3LGALS7; LGALS7BLGALS1LGALS9LGALS8
SCHEMBL5354301 0.84 LGALS3 (0.84) LGALS3LGALS7; LGALS7BLGALS1LGALS9LGALS8

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