SCHEMBL21179890

SCHEMBL21179890

CC(=O)NC1C(OC2C(O)C(COC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3NC(C)=O)OC(OC3C(CO)OC(OCCCCCN)C(NC(C)=O)C3O)C2O)OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C1O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LGALS3 P17931 4/20 0.70
LGALS8 O00214 2/20 0.70
LGALS4 P56470 2/20 0.70
MAPK1 P28482 1/20 0.56
PTN P21246 1/20 0.47
MDK P21741 1/20 0.47
BDNF P23560 1/20 0.47
IFNG P01579 2/20 0.47
BMP2 P12643 2/20 0.47
VEGFA P15692 2/20 0.47
FGF1 P05230 1/20 0.47
FGF2 P09038 1/20 0.47
SFRP1 Q8N474 1/20 0.47
CD209 Q9NNX6 2/20 0.46
SIGLEC7 Q9Y286 3/20 0.45
HPSE Q9Y251 2/20 0.44
CHIA Q9BZP6 1/20 0.42
CD69 Q07108 1/20 0.42
PF4 P02776 1/20 0.42
CCL2 P13500 1/20 0.42

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
SCHEMBL18619720 0.99 LGALS3 (0.71) LGALS3LGALS8LGALS4MAPK1PTN
SCHEMBL19731887 0.92 LGALS8 (0.62) LGALS3LGALS8LGALS4MAPK1PTN
SCHEMBL18011604 0.92 LGALS8 (0.67) LGALS3LGALS8LGALS4MAPK1PTN
SCHEMBL15482021 0.92 LGALS8 (0.67) LGALS3LGALS8LGALS4MAPK1PTN
SCHEMBL13541646 0.92 LGALS8 (0.67) LGALS3LGALS8LGALS4MAPK1PTN
SCHEMBL18620664 0.92 LGALS8 (0.67) LGALS3LGALS8LGALS4MAPK1PTN
SCHEMBL18608298 0.92 LGALS8 (0.67) LGALS3LGALS8LGALS4MAPK1PTN
SCHEMBL19726147 0.91 LGALS3 (0.64) LGALS3LGALS8LGALS4MAPK1CD209
SCHEMBL21258435 0.91 LGALS3 (0.74) LGALS3LGALS8LGALS4MAPK1SIGLEC7
SCHEMBL21258434 0.91 LGALS3 (0.74) LGALS3LGALS8LGALS4MAPK1SIGLEC7

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
US-10359398-B2 Method for determining carbohydrates structure MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2019-07-23 US disclosed