SCHEMBL8744533

SCHEMBL8744533

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 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.72
LGALS8 O00214 2/20 0.62
LGALS3 P17931 2/20 0.62
LGALS4 P56470 2/20 0.62
CD209 Q9NNX6 2/20 0.49
CD69 Q07108 1/20 0.48
BMP2 P12643 2/20 0.47
VEGFA P15692 2/20 0.47
CXCL12 P48061 2/20 0.47
SHH Q15465 2/20 0.47
ALDH1A1 P00352 1/20 0.47
THRB P10828 1/20 0.47
IFNG P01579 1/20 0.47
PF4 P02776 1/20 0.47
CCL2 P13500 1/20 0.47
SELP P16109 1/20 0.47
BMP6 P22004 1/20 0.47
CCL11 P51671 1/20 0.47
WNT3A P56704 1/20 0.47
SELPLG Q14242 1/20 0.47

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
SCHEMBL8744540 1.00 MAPK1 (0.72) MAPK1LGALS8LGALS3LGALS4CD209
SCHEMBL8009126 0.96 MAPK1 (0.66) MAPK1LGALS8LGALS3LGALS4CD209
SCHEMBL8009129 0.96 MAPK1 (0.66) MAPK1LGALS8LGALS3LGALS4CD209
SCHEMBL8744620 0.94 MAPK1 (0.68) MAPK1LGALS8LGALS3LGALS4CD209
SCHEMBL8744609 0.94 MAPK1 (0.68) MAPK1LGALS8LGALS3LGALS4CD209
SCHEMBL8744641 0.90 LGALS8 (0.59) MAPK1LGALS8LGALS3LGALS4CD209
SCHEMBL8744639 0.90 LGALS8 (0.59) MAPK1LGALS8LGALS3LGALS4CD209
SCHEMBL18947591 0.89 MAPK1 (0.76) MAPK1LGALS8LGALS3LGALS4CD69
SCHEMBL18350663 0.88 LGALS8 (0.60) MAPK1LGALS8LGALS3LGALS4CD209
SCHEMBL8744636 0.88 MAPK1 (0.65) MAPK1LGALS8LGALS3LGALS4CD69

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 4 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
WO-1990005527-A1 INHIBITORS FOR GLYCOSAMINOSYL TRANSFERASE-V CHEMBIOMED LTD. (CA) 1990-05-31 WO disclosed