SCHEMBL10099862

SCHEMBL10099862

C=C(CC(=O)O)ON(O)O

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.38
SRR Q9GZT4 1/20 0.38
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL10228014 0.70
SCHEMBL9511030 0.70
SCHEMBL13536885 0.65
SCHEMBL1919830 0.65
SCHEMBL12706837 0.65
SCHEMBL9098632 0.64
SCHEMBL377180 0.62 LDHA (0.57) LDHASRRALOX15HSD17B10
SCHEMBL1980408 0.62
Malonic Acid SCHEMBL5186878 0.62 LDHA (0.69) LDHASRRALOX15HSD17B10
Malonic Acid SCHEMBL132207 0.61

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
EP-1163029-B1 NITRATE ESTERS AND THEIR USE FOR INDUCING NEUROPROTECTION AND COGNITION ENHANCEMENT UNIV KINGSTON (CA) 2012-02-22 EP disclosed