SCHEMBL17091478

SCHEMBL17091478

CCCCCCCC/C=C\CCCCCCCCO[C@H]1O[C@H](COS(=O)(=O)O)[C@@H](O)[C@H](O)[C@@H]1NC(C)=O.[KH]

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.63
▸ BDNF P23560 3/20 0.50
▸ PTN P21246 2/20 0.50
▸ MDK P21741 2/20 0.50
▸ BMP2 P12643 2/20 0.47
▸ VEGFA P15692 2/20 0.47
▸ CXCL12 P48061 2/20 0.47
▸ SHH Q15465 2/20 0.47
▸ LGALS8 O00214 1/20 0.44
▸ LGALS3 P17931 1/20 0.44
▸ LGALS4 P56470 1/20 0.44
▸ SELP P16109 4/20 0.43
▸ IFNG P01579 1/20 0.43
▸ PF4 P02776 1/20 0.43
▸ CCL2 P13500 1/20 0.43
▸ BMP6 P22004 1/20 0.43
▸ CCL11 P51671 1/20 0.43
▸ WNT3A P56704 1/20 0.43
▸ SELPLG Q14242 1/20 0.43
▸ CA1 P00915 1/20 0.42

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
SCHEMBL17208463 0.99 MAPK1 (0.64) MAPK1BDNFPTNMDKBMP2
SCHEMBL17208461 0.99 MAPK1 (0.64) MAPK1BDNFPTNMDKBMP2
Potassium Ion SCHEMBL17091477 0.91 MAPK1 (0.63) MAPK1BDNFPTNMDKBMP2
Potassium Ion SCHEMBL17091479 0.91 MAPK1 (0.63) MAPK1BDNFPTNMDKBMP2
SCHEMBL17210625 0.90 MAPK1 (0.54) MAPK1BDNFPTNMDKBMP2
SCHEMBL16694432 0.85 MAPK1 (0.87) MAPK1LGALS8LGALS3LGALS4CA1
SCHEMBL17091444 0.85 MAPK1 (0.87) MAPK1LGALS8LGALS3LGALS4CA1
SCHEMBL17208459 0.85 MAPK1 (0.87) MAPK1LGALS8LGALS3LGALS4CA1
SCHEMBL17091443 0.85 MAPK1 (0.87) MAPK1LGALS8LGALS3LGALS4CA1
SCHEMBL17208465 0.82 MAPK1 (0.45) MAPK1BDNFPTNMDKBMP2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2921179-A1 Micellar nanoparticles containing antitumoral glycosides Fundación Centro Nacional de Investigaciones Cardiovasculares Carlos III (CNIC) (ES) 2015-09-23 — — EP claimed
EP-2921179-A1 Micellar nanoparticles containing antitumoral glycosides Fundación Centro Nacional de Investigaciones Cardiovasculares Carlos III (CNIC) (ES) 2015-09-23 — — EP disclosed
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