SCHEMBL13622322

SCHEMBL13622322

C=C(O)/N=C(\C=C(\C)N)C(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL13622323 0.81 TDP1 (0.33)
SCHEMBL20683188 0.77 ALDH1A1 (0.34) ALDH1A1
SCHEMBL25156142 0.72 ALDH1A1 (0.48) ALDH1A1
SCHEMBL13187804 0.71 ALDH1A1 (0.34) ALDH1A1
SCHEMBL20888217 0.68 ALDH1A1 (0.39) ALDH1A1
SCHEMBL24770276 0.67 ALDH1A1 (0.36) ALDH1A1
SCHEMBL13622317 0.67 ALDH1A1 (0.38) ALDH1A1
Carbamic Acid SCHEMBL9013721 0.65 ALDH1A1 (0.79) ALDH1A1
SCHEMBL20886886 0.65 ALDH1A1 (0.48) ALDH1A1
SCHEMBL13256000 0.65

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
WO-2009138712-A2 CHEMICAL COMPOUNDS SYNGENTA LIMITED (GB) 2009-11-19 WO disclosed