SCHEMBL6813383

SCHEMBL6813383

COc1cc(CCNC(=O)C(NC(=O)OC(C)(C)C)C(C)C)ccc1O

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.65
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
CTSS P25774 1/20 0.47
CTSK P43235 1/20 0.47
ALOX5 P09917 1/20 0.46
OR51E2 Q9H255 1/20 0.46
CA1 P00915 1/20 0.46

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
SCHEMBL6555031 1.00 CA2 (0.65) CA2MTNR1AMTNR1BKMT2AMEN1
SCHEMBL8381584 0.92 CA2 (0.64) CA2KMT2AMEN1CTSSCTSK
SCHEMBL69181 0.84 MTNR1A (0.59) CA2MTNR1AMTNR1BALOX5OR51E2
SCHEMBL29998779 0.84 MTNR1A (0.59) CA2MTNR1AMTNR1BALOX5OR51E2
SCHEMBL7619034 0.84 CA2 (0.55) CA2MTNR1AMTNR1BKMT2AMEN1
SCHEMBL6815439 0.84 CA2 (0.55) CA2KMT2AMEN1CTSSCTSK
SCHEMBL8769095 0.84 CA2 (0.71) CA2KMT2AMEN1CTSSCTSK
SCHEMBL6815934 0.82 CA2 (0.54) CA2KMT2AMEN1CTSSCTSK
SCHEMBL6554814 0.80 CA2 (0.49) CA2KMT2AMEN1
SCHEMBL8416665 0.80 CA2 (0.72) CA2KMT2AMEN1CTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140799-B1 NOVEL PROPARGYLETHER DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2004-01-02 EP disclosed
US-6469005-B1 CONTROLLING AND PROTECTING AGAINST PHYTOPATHOGENIC MICROORGANISMS SYNGENTA PARTICIPATIONS AG (CH) 2002-10-22 US disclosed
EP-1140799-A1 NOVEL PROPARGYLETHER DERIVATIVES Syngenta Participations AG (CH) 2001-10-10 EP disclosed
WO-2000041998-A1 NOVEL PROPARGYLETHER DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2000-07-20 WO disclosed