SCHEMBL6814877

SCHEMBL6814877

COc1cc(CCNC(=O)C(NC(=O)OC(C)(C)C)C(C)C)ccc1OCC#Cc1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.49
KMT2A Q03164 5/20 0.45
LMNA P02545 2/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CNR1 P21554 1/20 0.43
MEN1 O00255 2/20 0.42
CTSD P07339 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL6554729 1.00 CA2 (0.49) CA2KMT2ALMNAPOLBGAA
SCHEMBL6819858 0.92 CA2 (0.49) CA2KMT2ALMNAMEN1
SCHEMBL7610664 0.87 KMT2A (0.43) KMT2ALMNAPOLBGAAALDH1A1
SCHEMBL6815934 0.87 CA2 (0.54) CA2KMT2ALMNAMEN1SMN1; SMN2
SCHEMBL6815439 0.85 CA2 (0.55) CA2KMT2ALMNAALDH1A1MEN1
SCHEMBL82268 0.85 KMT2A (0.48) KMT2ALMNAPOLBGAAALDH1A1
SCHEMBL483297 0.85 KMT2A (0.48) KMT2ALMNAPOLBGAAALDH1A1
SCHEMBL22264508 0.85 CNR1 (0.47) KMT2ALMNAPOLBGAAALDH1A1
SCHEMBL29419083 0.85 KMT2A (0.48) KMT2ALMNAPOLBGAAALDH1A1
SCHEMBL157178 0.85 KMT2A (0.48) KMT2ALMNAPOLBGAAALDH1A1

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