SCHEMBL6816083

SCHEMBL6816083

C#CCOc1ccc(CCNC(=O)C(NC(=O)OC(C)C)C(C)C)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 2/20 0.46
TSHR P16473 1/20 0.45
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
MAPT P10636 1/20 0.43
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPK1 P28482 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
SCHEMBL6815439 0.89 CA2 (0.55) KMT2AMEN1LMNATSHRCA1
SCHEMBL7670246 0.83 SMN1; SMN2 (0.49) KMT2AMEN1LMNATSHRCA1
SCHEMBL13883419 0.81 TSHR (0.53) KMT2ALMNATSHRCA1CA2
SCHEMBL6815934 0.78 CA2 (0.54) KMT2AMEN1LMNATSHRCA1
SCHEMBL8898123 0.77 KMT2A (0.54) KMT2AMEN1LMNACA2ALDH1A1
SCHEMBL9181012 0.77 KMT2A (0.54) KMT2AMEN1LMNACA2ALDH1A1
SCHEMBL8381584 0.77 CA2 (0.64) KMT2AMEN1LMNATSHRCA1
SCHEMBL3245802 0.77 KMT2A (0.48) KMT2AMEN1LMNATSHRMAPT
SCHEMBL6229114 0.77 ALDH1A1 (0.50) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL6229108 0.77 ALDH1A1 (0.50) KMT2AMEN1MAPTALDH1A1SMN1; 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 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