SCHEMBL18619720

SCHEMBL18619720

CC(=O)NC1C(OCC2OC(OC3C(CO)OC(OCCCCCN)C(NC(C)=O)C3O)C(O)C(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3NC(C)=O)C2O)OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C1O

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LGALS3 P17931 4/20 0.71
LGALS8 O00214 2/20 0.71
LGALS4 P56470 2/20 0.71
MAPK1 P28482 1/20 0.56
IFNG P01579 1/20 0.48
FGF1 P05230 1/20 0.48
FGF2 P09038 1/20 0.48
BMP2 P12643 1/20 0.48
VEGFA P15692 1/20 0.48
SFRP1 Q8N474 1/20 0.48
CD209 Q9NNX6 2/20 0.47
PTN P21246 1/20 0.46
MDK P21741 1/20 0.46
BDNF P23560 1/20 0.46
SIGLEC7 Q9Y286 3/20 0.45
HPSE Q9Y251 2/20 0.44
CD69 Q07108 1/20 0.43
CHIA Q9BZP6 1/20 0.43
ENGASE Q8NFI3 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
SCHEMBL21179890 0.99 LGALS3 (0.70) LGALS3LGALS8LGALS4MAPK1IFNG
SCHEMBL19731887 0.93 LGALS8 (0.62) LGALS3LGALS8LGALS4MAPK1IFNG
SCHEMBL19726147 0.92 LGALS3 (0.64) LGALS3LGALS8LGALS4MAPK1CD209
SCHEMBL21258435 0.92 LGALS3 (0.74) LGALS3LGALS8LGALS4MAPK1SIGLEC7
SCHEMBL19197226 0.92 LGALS3 (0.74) LGALS3LGALS8LGALS4MAPK1SIGLEC7
SCHEMBL21852877 0.92 LGALS3 (0.74) LGALS3LGALS8LGALS4MAPK1SIGLEC7
SCHEMBL19196654 0.92 LGALS3 (0.74) LGALS3LGALS8LGALS4MAPK1SIGLEC7
SCHEMBL21258434 0.92 LGALS3 (0.74) LGALS3LGALS8LGALS4MAPK1SIGLEC7
SCHEMBL19367491 0.92 LGALS3 (0.74) LGALS3LGALS8LGALS4MAPK1SIGLEC7
SCHEMBL17252078 0.92 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
WO-2017036545-A1 METHOD FOR DETERMINING CARBOHYDRATES STRUCTURE MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2017-03-09 WO disclosed