SCHEMBL8744649

SCHEMBL8744649

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

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CD69 Q07108 1/20 0.48
MAPK1 P28482 2/20 0.46
ALDH1A1 P00352 1/20 0.45
THRB P10828 1/20 0.45
LGALS3 P17931 3/20 0.44
LGALS8 O00214 1/20 0.44
LGALS4 P56470 1/20 0.44
AMY2A P04746 3/20 0.44
CHIA Q9BZP6 1/20 0.42
FGF1 P05230 1/20 0.41
HPSE Q9Y251 2/20 0.40

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
SCHEMBL8744644 1.00 CD69 (0.48) CD69MAPK1ALDH1A1THRBLGALS3
SCHEMBL9463806 0.95 CD69 (0.53) CD69MAPK1ALDH1A1THRBLGALS3
SCHEMBL9463812 0.95 CD69 (0.53) CD69MAPK1ALDH1A1THRBLGALS3
SCHEMBL8744664 0.93 CD69 (0.51) CD69MAPK1ALDH1A1THRBLGALS3
SCHEMBL8744603 0.93 CD69 (0.51) CD69MAPK1ALDH1A1THRBLGALS3
SCHEMBL8744658 0.93 CD69 (0.51) CD69MAPK1ALDH1A1THRBLGALS3
SCHEMBL8744598 0.93 CD69 (0.51) CD69MAPK1ALDH1A1THRBLGALS3
SCHEMBL8744624 0.91 LGALS3 (0.42) CD69MAPK1ALDH1A1THRBLGALS3
SCHEMBL16214758 0.90 LGALS3 (0.48) CD69MAPK1LGALS3LGALS8LGALS4
SCHEMBL9463703 0.88 CD69 (0.55) CD69MAPK1ALDH1A1THRBLGALS3

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
EP-0593419-B1 INHIBITORS FOR GLYCOSAMINOSYL TRANSFERASE-V ALBERTA RES COUNCIL (CA) 1997-01-22 EP disclosed
US-5206356-A Therapy and diagnosis of metastatic metabolic states CHEMBIOMED, LTD. (CA) 1993-04-27 US disclosed
US-5032505-A Enzyme inhibitors CHEMBIOMED, LTD. (CA) 1991-07-16 US disclosed