SCHEMBL20122282

SCHEMBL20122282

CO[C@@H]1OC(CO)[C@@H](O[C@@H]2OC(CO)[C@H](O)C(O)CC2O)C(O)C1NC(C)=O

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LGALS3 P17931 8/20 0.55
▸ LGALS7; LGALS7B P47929 3/20 0.55
▸ LGALS1 P09382 1/20 0.55
▸ LGALS9 O00182 3/20 0.54
▸ LGALS8 O00214 2/20 0.53
▸ CD69 Q07108 1/20 0.53
▸ LGALS4 P56470 1/20 0.53
▸ CHIA Q9BZP6 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ MAPK1 P28482 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
SCHEMBL20122284 0.90 LGALS3 (0.52) LGALS3LGALS7; LGALS7BLGALS1LGALS9LGALS8
SCHEMBL9566125 0.87 CD69 (0.60) LGALS3LGALS7; LGALS7BLGALS1LGALS9LGALS8
SCHEMBL9566129 0.87 CD69 (0.60) LGALS3LGALS7; LGALS7BLGALS1LGALS9LGALS8
SCHEMBL9566119 0.87 CD69 (0.60) LGALS3LGALS7; LGALS7BLGALS1LGALS9LGALS8
SCHEMBL19976159 0.86 LGALS3 (0.68) LGALS3LGALS7; LGALS7BLGALS1LGALS9LGALS8
SCHEMBL16258790 0.86 LGALS3 (0.68) LGALS3LGALS7; LGALS7BLGALS1LGALS9LGALS8
SCHEMBL5357606 0.86 LGALS3 (0.68) LGALS3LGALS7; LGALS7BLGALS1LGALS9LGALS8
SCHEMBL17681107 0.86 LGALS3 (0.68) LGALS3LGALS7; LGALS7BLGALS1LGALS9LGALS8
SCHEMBL5357615 0.86 LGALS3 (0.68) LGALS3LGALS7; LGALS7BLGALS1LGALS9LGALS8
SCHEMBL17678835 0.86 LGALS3 (0.68) 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-9963729-B2 Diversification of human milk oligosaccharides (HMOs) or precursors thereof GLYCOM A/S (DK) 2018-05-08 — — US disclosed
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