SCHEMBL7758942

SCHEMBL7758942

CO/N=C(/C(=O)O)c1ccccc1/C(=N\OCCc1cccc(C)n1)OCC1CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
MAPT P10636 1/20 0.35
CHRNB2 P17787 4/20 0.33
CHRNB4 P30926 4/20 0.33
CHRNA3 P32297 4/20 0.33
CHRNA4 P43681 4/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
PPARG P37231 2/20 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
SCHEMBL7753085 0.75 CHRM5 (0.35) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL7992202 0.75 CHRM5 (0.35) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL7753153 0.75 ALDH1A1 (0.44) KMT2AMAPTL3MBTL1NPSR1LMNA
SCHEMBL7752172 0.75 ALDH1A1 (0.44) KMT2AMAPTL3MBTL1NPSR1LMNA
SCHEMBL7751862 0.70 FKBP1A (0.37) SMN1; SMN2KDM4EALDH1A1
SCHEMBL7752159 0.70 PTGIR (0.31)
SCHEMBL7747806 0.70 P2RX7 (0.31) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL7747858 0.67 PTGIR (0.36) MEN1KMT2ACHRNB2CHRNB4CHRNA3
SCHEMBL1768031 0.67 FKBP1A (0.37) SMN1; SMN2KDM4EALDH1A1
SCHEMBL7751858 0.66 KMT2A (0.40) KMT2AMAPTL3MBTL1NPSR1SMN1; 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 2 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 disclosed
WO-1999051579-A1 FUNGICIDE COMPOSITIONS COMPRISING A HYDROXIMIC OR HYDRAZONIC GROUP AVENTIS CROPSCIENCE S.A. (FR) 1999-10-14 WO disclosed