SCHEMBL18947591

SCHEMBL18947591

CCCCCO[C@@H]1OC(CO)[C@@H](O[C@@H]2OC(CO)[C@H](O[C@@H]3OC(CO)[C@H](O)[C@H](O)C3NC(C)=O)[C@H](O)C2O)[C@H](O)C1O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.76
LGALS3 P17931 4/20 0.70
LGALS8 O00214 2/20 0.70
LGALS4 P56470 2/20 0.70
CD69 Q07108 1/20 0.52
ALDH1A1 P00352 2/20 0.51
THRB P10828 1/20 0.51
BMP2 P12643 2/20 0.50
VEGFA P15692 2/20 0.50
CXCL12 P48061 2/20 0.50
SHH Q15465 2/20 0.50
IFNG P01579 1/20 0.49
PF4 P02776 1/20 0.49
CCL2 P13500 1/20 0.49
SELP P16109 1/20 0.49
BMP6 P22004 1/20 0.49
CCL11 P51671 1/20 0.49
WNT3A P56704 1/20 0.49
SELPLG Q14242 1/20 0.49
CHIA Q9BZP6 1/20 0.49

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
SCHEMBL18947590 0.97 MAPK1 (0.71) MAPK1LGALS3LGALS8LGALS4CD69
SCHEMBL15081918 0.91 LGALS3 (0.69) MAPK1LGALS3LGALS8LGALS4CD69
SCHEMBL10106219 0.91 LGALS3 (0.69) MAPK1LGALS3LGALS8LGALS4CD69
SCHEMBL19398451 0.90 LGALS8 (0.66) MAPK1LGALS3LGALS8LGALS4BMP2
SCHEMBL8744540 0.89 MAPK1 (0.72) MAPK1LGALS3LGALS8LGALS4CD69
SCHEMBL8744533 0.89 MAPK1 (0.72) MAPK1LGALS3LGALS8LGALS4CD69
SCHEMBL17822291 0.89 LGALS3 (0.69) MAPK1LGALS3LGALS8LGALS4CD69
SCHEMBL6948179 0.89 LGALS3 (0.85) MAPK1LGALS3LGALS8LGALS4CD69
SCHEMBL17832654 0.89 LGALS3 (0.69) MAPK1LGALS3LGALS8LGALS4CD69
SCHEMBL17822271 0.89 LGALS3 (0.69) MAPK1LGALS3LGALS8LGALS4CD69

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-9678072-B2 Synthetic ligands for the differentiation of closely related toxins and pathogens UNIVERSITY OF CINCINNATI (US) 2017-06-13 US disclosed