SCHEMBL10697186

SCHEMBL10697186

C=CCON=C1COC2C(O[N+](=O)[O-])COC12

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.40
BCHE P06276 6/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
GSR P00390 1/20 0.30

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
SCHEMBL10699039 0.85 ALDH1A1 (0.47) ALDH1A1MAPTBCHEGSR
SCHEMBL10741301 0.78 ALDH1A1 (0.56) ALDH1A1MAPTBCHEGSR
SCHEMBL10697714 0.78 CHRM2 (0.40) ALDH1A1CHRM2CHRM1
SCHEMBL10553160 0.74 ALDH1A1 (0.37) ALDH1A1MAPTBCHE
SCHEMBL10552910 0.74 ADRB1 (0.40)
SCHEMBL10426835 0.73 ALDH1A1 (0.66) ALDH1A1MAPTBCHEGSR
SCHEMBL10550837 0.72 ALDH1A1 (0.59) ALDH1A1MAPTBCHEGSR
SCHEMBL3326939 0.72 ALDH1A1 (0.59) ALDH1A1MAPTBCHEGSR
SCHEMBL10740133 0.70 ALDH1A1 (0.45) ALDH1A1MAPTBCHEGSR
SCHEMBL13893186 0.66 ALDH1A1 (0.70) ALDH1A1MAPTBCHEGSR

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-0284752-A1 Oxime ethers of 2,6-dioxabicyclo[3.3.0]octanones Heinrich Mack Nachf. (DE) 1988-10-05 EP disclosed