SCHEMBL6816832

SCHEMBL6816832

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

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
GAA P10253 1/20 0.51
MAPT P10636 2/20 0.48
LMNA P02545 2/20 0.48
MEN1 O00255 1/20 0.48
MAPK1 P28482 1/20 0.48
KMT2A Q03164 1/20 0.48
HPGD P15428 1/20 0.47
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA12 O43570 1/20 0.45
CA9 Q16790 1/20 0.45
CYP2B6 P20813 1/20 0.45
THRB P10828 1/20 0.44
CNR1 P21554 1/20 0.44

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
SCHEMBL6813393 0.91 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2GAAMAPTHPGD
SCHEMBL6812824 0.90 GAA (0.61) ALDH1A1SMN1; SMN2GAAMAPTLMNA
SCHEMBL6544344 0.89 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2GAAMAPTLMNA
SCHEMBL6812586 0.88 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2GAAMAPTLMNA
SCHEMBL6812591 0.88 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2GAAMAPTLMNA
SCHEMBL6815926 0.87 GAA (0.58) ALDH1A1SMN1; SMN2GAAMAPTLMNA
SCHEMBL6545182 0.87 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2GAAMAPTLMNA
SCHEMBL6545179 0.87 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2GAAMAPTLMNA
SCHEMBL6816867 0.87 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2GAAMAPTLMNA
SCHEMBL6816337 0.86 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2GAAMAPTLMNA

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