SCHEMBL6903568

SCHEMBL6903568

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

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
POLB P06746 2/20 0.55
CTDSP1 Q9GZU7 1/20 0.55
MMP9 P14780 3/20 0.54
MMP8 P22894 3/20 0.54
HSD17B10 Q99714 2/20 0.51
ALDH1A1 P00352 3/20 0.49
HPGD P15428 2/20 0.49
KDM4E B2RXH2 2/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 2/20 0.48
MMP14 P50281 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
RECQL P46063 1/20 0.47
NPC1 O15118 1/20 0.47

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
SCHEMBL2882579 0.88 MEN1 (0.45) MEN1KMT2APOLBCTDSP1MMP9
SCHEMBL2791062 0.88 MEN1 (0.45) MEN1KMT2APOLBCTDSP1MMP9
SCHEMBL1463398 0.88 MEN1 (0.45) MEN1KMT2APOLBCTDSP1MMP9
SCHEMBL13462330 0.86 MEN1 (0.58) MEN1KMT2APOLBCTDSP1MMP9
SCHEMBL14511350 0.86 MEN1 (0.58) MEN1KMT2APOLBCTDSP1MMP9
SCHEMBL12310927 0.86 MEN1 (0.58) MEN1KMT2APOLBCTDSP1MMP9
SCHEMBL13592512 0.86 MEN1 (0.58) MEN1KMT2APOLBCTDSP1MMP9
SCHEMBL13592516 0.86 MEN1 (0.58) MEN1KMT2APOLBCTDSP1MMP9
SCHEMBL12310971 0.86 MEN1 (0.58) MEN1KMT2APOLBCTDSP1MMP9
SCHEMBL19273226 0.85 ALDH1A1 (0.59) MEN1KMT2APOLBCTDSP1ALDH1A1

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 3 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
US-6753339-B1 Fungicide compositions AVENTIS CROPSCIENCE SA (FR) 2004-06-22 US disclosed
EP-1115288-B1 FUNGICIDE COMPOSITIONS BAYER CROPSCIENCE SA (FR) 2003-01-15 EP disclosed