SCHEMBL8401513

SCHEMBL8401513

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDNF P23560 3/20 0.54
PTN P21246 2/20 0.54
MDK P21741 2/20 0.54
LGALS3 P17931 3/20 0.51
LGALS8 O00214 1/20 0.51
LGALS4 P56470 1/20 0.51
MAPK1 P28482 1/20 0.48
SELE P16581 1/20 0.42
BMP2 P12643 2/20 0.41
VEGFA P15692 2/20 0.41
CXCL12 P48061 2/20 0.41
SHH Q15465 2/20 0.41
IFNG P01579 1/20 0.40
PF4 P02776 1/20 0.40
CCL2 P13500 1/20 0.40
SELP P16109 1/20 0.40
BMP6 P22004 1/20 0.40
CCL11 P51671 1/20 0.40
WNT3A P56704 1/20 0.40
SELPLG Q14242 1/20 0.40

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
SCHEMBL8401515 1.00 BDNF (0.54) BDNFPTNMDKLGALS3LGALS8
SCHEMBL8831319 0.95 LGALS3 (0.55) BDNFPTNMDKLGALS3LGALS8
SCHEMBL8831331 0.95 LGALS3 (0.55) BDNFPTNMDKLGALS3LGALS8
SCHEMBL8401302 0.89 VEGFA (0.52) BDNFPTNMDKLGALS3LGALS8
SCHEMBL8398092 0.89 LGALS8 (0.51) BDNFPTNMDKLGALS3LGALS8
SCHEMBL8401253 0.87 LGALS8 (0.52) BDNFPTNMDKLGALS3LGALS8
SCHEMBL9057973 0.87 LGALS8 (0.54) BDNFPTNMDKLGALS3LGALS8
SCHEMBL8401450 0.87 BDNF (0.57) BDNFPTNMDKLGALS3LGALS8
SCHEMBL8399868 0.87 LGALS3 (0.49) BDNFPTNMDKLGALS3LGALS8
SCHEMBL8399992 0.86 LGALS8 (0.49) BDNFPTNMDKLGALS3LGALS8

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-5874411-A ANTIINFLAMMATORY GLYCOMED INCORPORATED (US) 1999-02-23 US disclosed