SCHEMBL13895616

SCHEMBL13895616

CC(=O)NC1C(O[C@@H]2OC[C@H](O)C(O)C2O)[C@H](O)C(CO)O[C@H]1C

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CD69 Q07108 1/20 0.49
▸ MAPK1 P28482 2/20 0.45
▸ LGALS3 P17931 5/20 0.44
▸ LGALS8 O00214 1/20 0.44
▸ LGALS4 P56470 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ SELL P14151 1/20 0.39
▸ SELP P16109 1/20 0.39
▸ CHIA Q9BZP6 1/20 0.38
▸ LGALS1 P09382 1/20 0.38
▸ LGALS7; LGALS7B P47929 1/20 0.38

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
SCHEMBL23491004 1.00 CD69 (0.49) CD69MAPK1LGALS3LGALS8LGALS4
SCHEMBL14925198 0.89 CD69 (0.44) CD69MAPK1LGALS3LGALS8LGALS4
SCHEMBL12236900 0.89 CD69 (0.44) CD69MAPK1LGALS3LGALS8LGALS4
SCHEMBL17131368 0.89 CD69 (0.44) CD69MAPK1LGALS3LGALS8LGALS4
SCHEMBL23490961 0.87 CD69 (0.41) CD69MAPK1LGALS3LGALS8LGALS4
SCHEMBL13541630 0.85 LGALS3 (0.58) CD69MAPK1LGALS3LGALS8LGALS4
SCHEMBL12694356 0.85 LGALS3 (0.58) CD69MAPK1LGALS3LGALS8LGALS4
SCHEMBL20618758 0.85 LGALS3 (0.58) CD69MAPK1LGALS3LGALS8LGALS4
SCHEMBL15910259 0.85 LGALS3 (0.58) CD69MAPK1LGALS3LGALS8LGALS4
SCHEMBL15962543 0.85 LGALS3 (0.58) CD69MAPK1LGALS3LGALS8LGALS4

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
EP-2522232-A1 Nutritional products comprising human milk oligosaccharides and methods for manufacture thereof Nestec S.A. (CH) 2012-11-14 — — EP disclosed
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