SCHEMBL7747858

SCHEMBL7747858

CO/C=C(/C(=O)O)c1ccccc1/C(=N\OCc1ccccn1)OCC1CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 2/20 0.36
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 4/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALOX5 P09917 1/20 0.33
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
POLB P06746 1/20 0.32
ACHE P22303 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32

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
SCHEMBL7992202 0.91 CHRM5 (0.35) PTGIRALDH1A1KDM4EALOX15HSD17B10
SCHEMBL7753089 0.91 CHRM5 (0.35) PTGIRALDH1A1KDM4EALOX15HSD17B10
SCHEMBL7753085 0.91 CHRM5 (0.35) PTGIRALDH1A1KDM4EALOX15HSD17B10
SCHEMBL7981403 0.89 FKBP1A (0.37) PTGIRALDH1A1KDM4EALOX15HSD17B10
SCHEMBL7751862 0.89 FKBP1A (0.37) PTGIRALDH1A1KDM4EALOX15HSD17B10
SCHEMBL1768031 0.81 FKBP1A (0.37) PTGIRALDH1A1KDM4ESMN1; SMN2MAPK1
SCHEMBL6411933 0.80 PTGIR (0.34) PTGIRALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL4623306 0.80 PTGIR (0.34) PTGIRALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL4623301 0.80 PTGIR (0.34) PTGIRALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL7993488 0.75 CYP1A2 (0.35) ALDH1A1KDM4ESMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1070052-A1 FUNGICIDE COMPOSITIONS COMPRISING A HYDROXIMIC OR HYDRAZONIC GROUP AVENTIS CROPSCIENCE S.A. (FR) 2001-01-24 EP claimed
WO-1999051579-A1 FUNGICIDE COMPOSITIONS COMPRISING A HYDROXIMIC OR HYDRAZONIC GROUP AVENTIS CROPSCIENCE S.A. (FR) 1999-10-14 WO claimed
WO-2001025206-A1 METHOD FOR PREPARING HYDROXIMIC COMPOUNDS FOR USE AS FUNGICIDES AVENTIS CROPSCIENCE SA (FR) 2001-04-12 WO disclosed
EP-1070052-A1 FUNGICIDE COMPOSITIONS COMPRISING A HYDROXIMIC OR HYDRAZONIC GROUP AVENTIS CROPSCIENCE S.A. (FR) 2001-01-24 EP disclosed
WO-1999051579-A1 FUNGICIDE COMPOSITIONS COMPRISING A HYDROXIMIC OR HYDRAZONIC GROUP AVENTIS CROPSCIENCE S.A. (FR) 1999-10-14 WO disclosed