SCHEMBL9684822

SCHEMBL9684822

CC(CN(O)C(=O)O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.53
ALOX5 P09917 2/20 0.46
TAAR1 Q96RJ0 3/20 0.45
TRPA1 O75762 4/20 0.44
FFAR1 O14842 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTR2A P28223 1/20 0.41
HRH1 P35367 1/20 0.41

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
SCHEMBL2065480 0.82 HTR2A (0.50) ALOX5TAAR1HTR2AHRH1
SCHEMBL28986139 0.78 AOC3 (0.50) AOC3TAAR1TRPA1MEN1KMT2A
SCHEMBL3649127 0.77 KMT2A (0.42) AOC3ALOX5KMT2AHTR2AHRH1
Bicarbonate SCHEMBL6219599 0.75 TRPA1 (0.55) ALOX5TAAR1TRPA1MEN1KMT2A
Acetone SCHEMBL28209188 0.74 TRPA1 (0.53) ALOX5TAAR1TRPA1MEN1KMT2A
SCHEMBL28986115 0.73 GAA (0.46) AOC3
SCHEMBL4517622 0.73 AOC3 (0.45) AOC3TAAR1TRPA1KDM4EMEN1
SCHEMBL12143607 0.73 AOC3 (0.69) AOC3TAAR1TRPA1HTR2AHRH1
SCHEMBL12559942 0.73 AOC3 (0.69) AOC3TAAR1TRPA1HTR2AHRH1
SCHEMBL3430883 0.73 AOC3 (0.69) AOC3TAAR1TRPA1HTR2AHRH1

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-0513703-A2 Carbamate esters of eseroline having anticholinesterase activity, a process for their preparation and relative pharmaceutical compositions containing them as the active principle MAGIS FARMACEUTICI S.p.A. (IT) 1992-11-19 EP disclosed