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Sugi Predict / Compounds / SCHEMBL19976166

SCHEMBL19976166

SCHEMBL19976166

CO[C@@H]1OC(CO)[C@@H](O[C@@H]2OC(CO)[C@H](O)C(NC(=O)c3cc4ccccc4cc3C(=O)O)C2O)C(O)C1NC(C)=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ LGALS3 P17931 11/20 1.00
▸ LGALS7; LGALS7B P47929 5/20 0.77
▸ LGALS1 P09382 3/20 0.77
▸ LGALS9 O00182 5/20 0.54
▸ POLB P06746 1/20 0.47
▸ LGALS8 O00214 1/20 0.45
▸ LGALS4 P56470 1/20 0.45

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
SCHEMBL17681092 1.00 LGALS3 (1.00) LGALS3LGALS7; LGALS7BLGALS1LGALS9POLB
SCHEMBL17097341 0.91 LGALS3 (0.84) LGALS3LGALS7; LGALS7BLGALS1LGALS9POLB
SCHEMBL5354309 0.91 LGALS3 (0.84) LGALS3LGALS7; LGALS7BLGALS1LGALS9POLB
SCHEMBL5354301 0.91 LGALS3 (0.84) LGALS3LGALS7; LGALS7BLGALS1LGALS9POLB
SCHEMBL19976177 0.89 LGALS3 (1.00) LGALS3LGALS7; LGALS7BLGALS1LGALS9POLB
SCHEMBL17681079 0.89 LGALS3 (1.00) LGALS3LGALS7; LGALS7BLGALS1LGALS9POLB
SCHEMBL5356738 0.87 LGALS3 (0.82) LGALS3LGALS7; LGALS7BLGALS1LGALS9POLB
SCHEMBL5356735 0.87 LGALS3 (0.82) LGALS3LGALS7; LGALS7BLGALS1LGALS9POLB
SCHEMBL5351236 0.83 LGALS3 (0.71) LGALS3LGALS7; LGALS7BLGALS1LGALS9POLB
SCHEMBL5351233 0.83 LGALS3 (0.71) LGALS3LGALS7; LGALS7BLGALS1LGALS9POLB

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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