SCHEMBL7173208

SCHEMBL7173208

CC(NC(=O)C(OC(N)=O)C(C)C)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
POLB P06746 2/20 0.50
CTDSP1 Q9GZU7 1/20 0.50
PTGER4 P35408 1/20 0.49
PTGER2 P43116 1/20 0.49
MMP9 P14780 2/20 0.49
MMP8 P22894 2/20 0.49
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
HSD17B10 Q99714 2/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
PARP1 P09874 1/20 0.45
HPGD P15428 2/20 0.44
HDAC6 Q9UBN7 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
MMP14 P50281 1/20 0.44

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
SCHEMBL12610943 0.87 PTGER4 (0.43) MEN1KMT2APTGER4PTGER2ALDH1A1
SCHEMBL7551272 0.77 MEN1 (0.66) MEN1KMT2APOLBCTDSP1MMP9
SCHEMBL7551261 0.77 MEN1 (0.66) MEN1KMT2APOLBCTDSP1MMP9
SCHEMBL3888729 0.76 PTGER4 (0.46) MEN1KMT2APOLBCTDSP1PTGER4
SCHEMBL7315864 0.76 MEN1 (0.60) MEN1KMT2APOLBCTDSP1MMP9
SCHEMBL13205707 0.76 MEN1 (0.60) MEN1KMT2APOLBCTDSP1MMP9
SCHEMBL12310857 0.76 MEN1 (0.60) MEN1KMT2APOLBCTDSP1MMP9
SCHEMBL13479489 0.76 MEN1 (0.60) MEN1KMT2APOLBCTDSP1MMP9
SCHEMBL7315854 0.76 MEN1 (0.60) MEN1KMT2APOLBCTDSP1MMP9
SCHEMBL9714058 0.76 MEN1 (0.60) MEN1KMT2APOLBCTDSP1MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1115288-B1 FUNGICIDE COMPOSITIONS BAYER CROPSCIENCE SA (FR) 2003-01-15 EP claimed
CN-1212767-C Fungicide compositions AVENT CROPSCIENCE S A (FR) 2005-08-03 CN disclosed
EP-1115288-B1 FUNGICIDE COMPOSITIONS BAYER CROPSCIENCE SA (FR) 2003-01-15 EP disclosed
CN-1328419-A Fungicidal compositions AVENTIS CROPSCIENCE SA (FR) 2001-12-26 CN disclosed
EP-1115288-A1 FUNGICIDE COMPOSITIONS AVENTIS CROPSCIENCE S.A. (FR) 2001-07-18 EP disclosed
EP-1115288-A1 FUNGICIDE COMPOSITIONS AVENTIS CROPSCIENCE S.A. (FR) 2001-07-18 EP disclosed
WO-2000016629-A1 FUNGICIDE COMPOSITIONS AVENTIS CROPSCIENCE S.A. (FR) 2000-03-30 WO disclosed
WO-2000016629-A1 FUNGICIDE COMPOSITIONS AVENTIS CROPSCIENCE S.A. (FR) 2000-03-30 WO disclosed