SCHEMBL6812824

SCHEMBL6812824

C#CCOc1ccc(CCNC(=O)C(=O)c2ccc(Cl)cc2)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.61
ALDH1A1 P00352 7/20 0.60
CNR1 P21554 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
LMNA P02545 2/20 0.51
MAPT P10636 2/20 0.48
HPGD P15428 1/20 0.48
TP53 P04637 2/20 0.47
THRB P10828 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 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
SCHEMBL6815926 0.97 GAA (0.58) GAAALDH1A1CNR1SMN1; SMN2LMNA
SCHEMBL6816867 0.91 ALDH1A1 (0.59) GAAALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL6813393 0.91 ALDH1A1 (0.53) GAAALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL6816832 0.90 ALDH1A1 (0.53) GAAALDH1A1CNR1SMN1; SMN2LMNA
SCHEMBL6816337 0.90 ALDH1A1 (0.58) GAAALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL7111864 0.88 GAA (0.56) GAAALDH1A1CNR1SMN1; SMN2LMNA
SCHEMBL6816514 0.88 GAA (0.56) GAAALDH1A1CNR1SMN1; SMN2LMNA
SCHEMBL6816519 0.88 GAA (0.56) GAAALDH1A1CNR1SMN1; SMN2LMNA
SCHEMBL6802189 0.88 GAA (0.56) GAAALDH1A1CNR1SMN1; SMN2LMNA
SCHEMBL6544306 0.87 GAA (0.55) GAAALDH1A1CNR1SMN1; SMN2LMNA

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