SCHEMBL7993481

SCHEMBL7993481

CCC(O/N=C(\OCc1ccccc1/C(=C\OC)C(=O)O)C(C)C)c1ccccn1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CASP3 P42574 1/20 0.30
SENP8 Q96LD8 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 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
SCHEMBL7995299 0.89 ALDH1A1 (0.34) MEN1GAAKMT2ASMN1; SMN2ALDH1A1
SCHEMBL7995303 0.89 ALDH1A1 (0.34) MEN1GAAKMT2ASMN1; SMN2ALDH1A1
SCHEMBL7972305 0.86 ALDH1A1 (0.32) MEN1GAAKMT2ASMN1; SMN2ALDH1A1
SCHEMBL7995297 0.81 ALDH1A1 (0.34) MEN1GAAKMT2ASMN1; SMN2ALDH1A1
SCHEMBL7972362 0.81 ALDH1A1 (0.34) MEN1GAAKMT2ASMN1; SMN2ALDH1A1
SCHEMBL7993484 0.78 CYP1A2 (0.36) SMN1; SMN2ALDH1A1CYP1A2
SCHEMBL4623306 0.77 PTGIR (0.34) MEN1GAAKMT2ASMN1; SMN2ALDH1A1
SCHEMBL6411933 0.77 PTGIR (0.34) MEN1GAAKMT2ASMN1; SMN2ALDH1A1
SCHEMBL4623301 0.77 PTGIR (0.34) MEN1GAAKMT2ASMN1; SMN2ALDH1A1
SCHEMBL7752753 0.73 MEN1 (0.39) MEN1GAAKMT2ASMN1; SMN2ALDH1A1

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-2001023355-A1 NOVEL OPTICALLY ACTIVE FUNGICIDE COMPOUNDS COMPRISING A HYDROXIMIC OR HYDRAZONIC FUNCTION AVENTIS CROPSCIENCE SA (FR) 2001-04-05 WO disclosed