SCHEMBL8831033

SCHEMBL8831033

C=CCOCCCCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1NC(C)=O

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.72
▸ LGALS8 O00214 1/20 0.58
▸ LGALS3 P17931 1/20 0.58
▸ LGALS4 P56470 1/20 0.58
▸ ALDH1A1 P00352 2/20 0.50
▸ THRB P10828 1/20 0.50
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ B4GALT1 P15291 1/20 0.48
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ CD69 Q07108 1/20 0.44
▸ CHIA Q9BZP6 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL8831030 1.00 MAPK1 (0.72) MAPK1LGALS8LGALS3LGALS4ALDH1A1
SCHEMBL9440406 1.00 MAPK1 (0.72) MAPK1LGALS8LGALS3LGALS4ALDH1A1
SCHEMBL10333758 0.89 MAPK1 (0.75) MAPK1LGALS8LGALS3LGALS4ALDH1A1
SCHEMBL10031522 0.89 MAPK1 (0.75) MAPK1LGALS8LGALS3LGALS4ALDH1A1
SCHEMBL10333760 0.89 MAPK1 (0.75) MAPK1LGALS8LGALS3LGALS4ALDH1A1
SCHEMBL10334235 0.89 MAPK1 (0.75) MAPK1LGALS8LGALS3LGALS4ALDH1A1
SCHEMBL16393106 0.88 MAPK1 (0.73) MAPK1LGALS8LGALS3LGALS4ALDH1A1
SCHEMBL16392632 0.88 MAPK1 (0.73) MAPK1LGALS8LGALS3LGALS4ALDH1A1
SCHEMBL14444732 0.88 MAPK1 (0.72) MAPK1LGALS8LGALS3LGALS4ALDH1A1
SCHEMBL24299983 0.86 MAPK1 (0.62) MAPK1LGALS8LGALS3LGALS4ALDH1A1

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-5646123-A Time dependent administration of oligosaccharide glycosides related to blood group determinants having a type I or type II core structure in reducing inflammation in a sensitized mammal arising form exposure to an antigen ALBERTA RESEARCH COUNCIL (CA) 1997-07-08 — — US disclosed
EP-0589933-B1 METHODS FOR THE ENZYMATIC SYNTHESIS OF ALPHA-SIALYLATED OLIGOSACCHARIDE GLYCOSIDES GLYCOMED INC (US) 1997-02-12 — — EP disclosed
US-5352670-A Methods for the enzymatic synthesis of alpha-sialylated oligosaccharide glycosides ALBERTA RESEARCH COUNCIL (CA) 1994-10-04 — — US disclosed
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