SCHEMBL8831331

SCHEMBL8831331

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LGALS3 P17931 4/20 0.55
LGALS8 O00214 3/20 0.55
LGALS4 P56470 2/20 0.55
MAPK1 P28482 1/20 0.53
BDNF P23560 3/20 0.48
PTN P21246 2/20 0.48
MDK P21741 2/20 0.48
SELE P16581 1/20 0.44
TLR4 O00206 1/20 0.41
B4GALT1 P15291 1/20 0.39
BMP2 P12643 2/20 0.39
VEGFA P15692 2/20 0.39
CXCL12 P48061 2/20 0.39
SHH Q15465 2/20 0.39
SIGLEC7 Q9Y286 2/20 0.39
CD69 Q07108 1/20 0.38
IFNG P01579 1/20 0.38
PF4 P02776 1/20 0.38
CCL2 P13500 1/20 0.38
SELP P16109 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
SCHEMBL8831319 1.00 LGALS3 (0.55) LGALS3LGALS8LGALS4MAPK1BDNF
SCHEMBL8401513 0.95 BDNF (0.54) LGALS3LGALS8LGALS4MAPK1BDNF
SCHEMBL8401515 0.95 BDNF (0.54) LGALS3LGALS8LGALS4MAPK1BDNF
SCHEMBL8398092 0.93 LGALS8 (0.51) LGALS3LGALS8LGALS4MAPK1BDNF
SCHEMBL9057973 0.92 LGALS8 (0.54) LGALS3LGALS8LGALS4MAPK1BDNF
SCHEMBL8401253 0.92 LGALS8 (0.52) LGALS3LGALS8LGALS4MAPK1BDNF
SCHEMBL8399868 0.91 LGALS3 (0.49) LGALS3LGALS8LGALS4MAPK1BDNF
SCHEMBL8399992 0.91 LGALS8 (0.49) LGALS3LGALS8LGALS4MAPK1BDNF
SCHEMBL8401789 0.89 LGALS8 (0.53) LGALS3LGALS8LGALS4MAPK1BDNF
SCHEMBL8398199 0.89 SELE (0.50) LGALS3LGALS8LGALS4MAPK1BDNF

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 2 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
WO-1993024505-A1 REDUCING INFLAMMATION BY TIME DEPENDENT ADMINISTRATION OF OLIGOSACCHARIDES GLYCOSIDES RELATED TO BLOOD GROUP DETERMINANTS ALBERTA RESEARCH COUNCIL (CA) 1993-12-09 WO disclosed