SCHEMBL15061592

SCHEMBL15061592

CCCC(C)(OC1[C@@H](O)C(COS(=O)(=O)O)O[C@@H](O[C@@H]2C(C(=O)O)O[C@@H](C(C)(CC)OC3[C@@H](O)C(COS(=O)(=O)O)OC(O)[C@H]3NC(C)=O)C(O)[C@H]2O)[C@H]1NC(C)=O)[C@@H]1OC(C(=O)O)[C@@H](O)[C@H](O)C1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDNF P23560 3/20 0.52
PTN P21246 2/20 0.52
MDK P21741 2/20 0.52
F10 P00742 1/20 0.39
FGF2 P09038 6/20 0.38
BMP2 P12643 2/20 0.36
VEGFA P15692 2/20 0.36
CXCL12 P48061 2/20 0.36
SHH Q15465 2/20 0.36
IFNG P01579 1/20 0.34
PF4 P02776 1/20 0.34
CCL2 P13500 1/20 0.34
SELP P16109 1/20 0.34
BMP6 P22004 1/20 0.34
CCL11 P51671 1/20 0.34
WNT3A P56704 1/20 0.34
SELPLG Q14242 1/20 0.34
HPSE Q9Y251 2/20 0.33
MAPK1 P28482 1/20 0.31
F2 P00734 1/20 0.31

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
SCHEMBL13353995 0.89 MDK (0.45) BDNFPTNMDKF10FGF2
SCHEMBL15061577 0.88 BDNF (0.47) BDNFPTNMDKF10FGF2
SCHEMBL13353960 0.88 BDNF (0.47) BDNFPTNMDKF10FGF2
SCHEMBL13431406 0.76 BDNF (0.69) BDNFPTNMDKF10FGF2
SCHEMBL16602208 0.73 BDNF (0.57) BDNFPTNMDKF10FGF2
SCHEMBL16452795 0.73 BDNF (0.57) BDNFPTNMDKF10FGF2
SCHEMBL16602205 0.73 BDNF (0.57) BDNFPTNMDKF10FGF2
SCHEMBL16452782 0.73 BDNF (0.57) BDNFPTNMDKF10FGF2
SCHEMBL29516753 0.73 BDNF (0.64) BDNFPTNMDKF10FGF2
SCHEMBL13431469 0.73 BDNF (0.70) BDNFPTNMDKF10FGF2

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-8470986-B2 Method for production of sugar oxazoline derivative TOHOKU UNIVERSITY (JP) 2013-06-25 US disclosed