SCHEMBL17678835

SCHEMBL17678835

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

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LGALS3 P17931 9/20 0.68
▸ LGALS8 O00214 1/20 0.68
▸ LGALS4 P56470 1/20 0.68
▸ LGALS7; LGALS7B P47929 4/20 0.62
▸ LGALS1 P09382 2/20 0.62
▸ LGALS9 O00182 4/20 0.60
▸ CD69 Q07108 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.53
▸ THRB P10828 1/20 0.53
▸ CHIA Q9BZP6 1/20 0.52
▸ MAPK1 P28482 1/20 0.51

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
SCHEMBL5357615 1.00 LGALS3 (0.68) LGALS3LGALS8LGALS4LGALS7; LGALS7BLGALS1
SCHEMBL17681107 1.00 LGALS3 (0.68) LGALS3LGALS8LGALS4LGALS7; LGALS7BLGALS1
SCHEMBL19976159 1.00 LGALS3 (0.68) LGALS3LGALS8LGALS4LGALS7; LGALS7BLGALS1
SCHEMBL13839152 1.00 LGALS3 (0.68) LGALS3LGALS8LGALS4LGALS7; LGALS7BLGALS1
SCHEMBL16258790 1.00 LGALS3 (0.68) LGALS3LGALS8LGALS4LGALS7; LGALS7BLGALS1
SCHEMBL5357606 1.00 LGALS3 (0.68) LGALS3LGALS8LGALS4LGALS7; LGALS7BLGALS1
SCHEMBL23613765 0.96 LGALS3 (0.64) LGALS3LGALS8LGALS4LGALS7; LGALS7BLGALS1
SCHEMBL26334737 0.96 LGALS3 (0.64) LGALS3LGALS8LGALS4LGALS7; LGALS7BLGALS1
SCHEMBL16407357 0.96 LGALS3 (0.64) LGALS3LGALS8LGALS4LGALS7; LGALS7BLGALS1
SCHEMBL9566129 0.94 CD69 (0.60) LGALS3LGALS8LGALS4LGALS7; LGALS7BLGALS1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9963729-B2 Diversification of human milk oligosaccharides (HMOs) or precursors thereof GLYCOM A/S (DK) 2018-05-08 — — US disclosed
US-9921230-B2 Methods for diagnosis and treatment of concussion or brain injury RHODE ISLAND HOSPITAL (US) 2018-03-20 — — US disclosed
US-20160103140-A1 Methods for Diagnosis and Treatment of Concussion or Brain Injury RHODE ISLAND HOSPITAL 2016-04-14 — — US disclosed
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