SCHEMBL8744641

SCHEMBL8744641

COC(=O)CCCCCCCCO[C@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2NC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LGALS8 O00214 2/20 0.59
LGALS3 P17931 2/20 0.59
LGALS4 P56470 2/20 0.59
MAPK1 P28482 1/20 0.57
CD209 Q9NNX6 2/20 0.47
CD69 Q07108 1/20 0.46
IGF2R P11717 1/20 0.43
MDK P21741 2/20 0.43
PTN P21246 1/20 0.43
BDNF P23560 1/20 0.43
ALDH1A1 P00352 1/20 0.42
THRB P10828 1/20 0.42
HPSE Q9Y251 2/20 0.41

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
SCHEMBL8744639 1.00 LGALS8 (0.59) LGALS8LGALS3LGALS4MAPK1CD209
SCHEMBL9473406 0.96 MAPK1 (0.62) LGALS8LGALS3LGALS4MAPK1CD209
SCHEMBL9473417 0.96 MAPK1 (0.62) LGALS8LGALS3LGALS4MAPK1CD209
SCHEMBL8744635 0.96 LGALS8 (0.55) LGALS8LGALS3LGALS4MAPK1CD209
SCHEMBL8744666 0.96 LGALS8 (0.55) LGALS8LGALS3LGALS4MAPK1CD209
SCHEMBL9473215 0.94 LGALS8 (0.62) LGALS8LGALS3LGALS4MAPK1CD69
SCHEMBL9473220 0.94 LGALS8 (0.62) LGALS8LGALS3LGALS4MAPK1CD69
SCHEMBL9473577 0.92 MAPK1 (0.61) LGALS8LGALS3LGALS4MAPK1CD209
SCHEMBL9473561 0.92 MAPK1 (0.61) LGALS8LGALS3LGALS4MAPK1CD209
SCHEMBL8744533 0.90 MAPK1 (0.72) LGALS8LGALS3LGALS4MAPK1CD209

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