SCHEMBL7972305

SCHEMBL7972305

CCC(ON=C(OCc1ccccc1C(=COC)C(=O)O)C1CC1)c1ccccn1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
DRD2 P14416 1/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
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 0.88 ALDH1A1 (0.34) ALDH1A1CYP1A2MEN1GAAKMT2A
SCHEMBL7995303 0.88 ALDH1A1 (0.34) ALDH1A1CYP1A2MEN1GAAKMT2A
SCHEMBL7993481 0.86 MEN1 (0.34) ALDH1A1CYP1A2MEN1GAAKMT2A
SCHEMBL4623301 0.80 PTGIR (0.34) ALDH1A1CYP1A2DRD2MEN1GAA
SCHEMBL6411933 0.80 PTGIR (0.34) ALDH1A1CYP1A2DRD2MEN1GAA
SCHEMBL4623306 0.80 PTGIR (0.34) ALDH1A1CYP1A2DRD2MEN1GAA
SCHEMBL7995297 0.77 ALDH1A1 (0.34) ALDH1A1CYP1A2MEN1GAAKMT2A
SCHEMBL7972362 0.77 ALDH1A1 (0.34) ALDH1A1CYP1A2MEN1GAAKMT2A
SCHEMBL7958907 0.73 ALOX5 (0.32) ALDH1A1CYP1A2
SCHEMBL7972307 0.73 ALOX5 (0.32) ALDH1A1CYP1A2

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-2001025206-A1 METHOD FOR PREPARING HYDROXIMIC COMPOUNDS FOR USE AS FUNGICIDES AVENTIS CROPSCIENCE SA (FR) 2001-04-12 WO disclosed