SCHEMBL6544322

SCHEMBL6544322

CCC#CCOc1ccc(CCNC(=O)C(O)c2ccc(Cl)c(Cl)c2)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
LMNA P02545 2/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 1/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CTSD P07339 3/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
CNR1 P21554 1/20 0.42
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42

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
SCHEMBL6812132 0.93 ALDH1A1 (0.44) ALDH1A1LMNAMEN1MAPTMAPK1
SCHEMBL6816474 0.91 GAA (0.52) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL6815835 0.89 ALDH1A1 (0.47) ALDH1A1LMNAMEN1MAPTMAPK1
SCHEMBL9060152 0.89 ALDH1A1 (0.50) ALDH1A1LMNAMEN1MAPTMAPK1
SCHEMBL6816682 0.88 LMNA (0.53) ALDH1A1LMNAMAPTKMT2ACA1
SCHEMBL6817386 0.87 ALDH1A1 (0.49) ALDH1A1LMNAMAPTMAPK1SMN1; SMN2
SCHEMBL7669288 0.87 ALDH1A1 (0.42) ALDH1A1LMNAMEN1MAPTMAPK1
SCHEMBL6226956 0.86 ALDH1A1 (0.42) ALDH1A1LMNAMEN1MAPTMAPK1
SCHEMBL6226951 0.86 ALDH1A1 (0.42) ALDH1A1LMNAMEN1MAPTMAPK1
SCHEMBL5157616 0.85 LMNA (0.41) ALDH1A1LMNAMEN1MAPTMAPK1

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 12 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-1140819-B1 ALFA-SULFENIMINO ACID DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2004-01-02 EP disclosed
EP-1140799-B1 NOVEL PROPARGYLETHER DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2004-01-02 EP disclosed
US-6479550-B1 α-sulfenimino acid derivatives SYNGENTA CROP PROTECTION, INC. 2002-11-12 US 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
EP-1140819-A1 ALFA-SULFENIMINO ACID DERIVATIVES Syngenta Participations AG (CH) 2001-10-10 EP disclosed
WO-2000042007-A1 ALFA-SULFENIMINO ACID DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2000-07-20 WO disclosed
WO-2000041998-A1 NOVEL PROPARGYLETHER DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2000-07-20 WO disclosed