SCHEMBL6816337

SCHEMBL6816337

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

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.58
MAPT P10636 4/20 0.58
POLB P06746 3/20 0.48
HPGD P15428 1/20 0.48
GRK2 P25098 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
GAA P10253 2/20 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
LMNA P02545 1/20 0.46
THRB P10828 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 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
SCHEMBL6816867 0.91 ALDH1A1 (0.59) ALDH1A1MAPTPOLBHPGDSMN1; SMN2
SCHEMBL6813393 0.91 ALDH1A1 (0.53) ALDH1A1MAPTHPGDSMN1; SMN2GAA
SCHEMBL6812824 0.90 GAA (0.61) ALDH1A1MAPTHPGDSMN1; SMN2GAA
SCHEMBL6817046 0.88 ALDH1A1 (0.51) ALDH1A1MAPTPOLBHPGDGRK2
SCHEMBL6817047 0.88 ALDH1A1 (0.51) ALDH1A1MAPTPOLBHPGDGRK2
SCHEMBL6815926 0.87 GAA (0.58) ALDH1A1MAPTHPGDSMN1; SMN2GAA
SCHEMBL6544904 0.87 ALDH1A1 (0.50) ALDH1A1MAPTPOLBHPGDGRK2
SCHEMBL6544900 0.87 ALDH1A1 (0.50) ALDH1A1MAPTPOLBHPGDGRK2
SCHEMBL6816832 0.86 ALDH1A1 (0.53) ALDH1A1MAPTHPGDSMN1; SMN2GAA
SCHEMBL3251942 0.82 MAPT (0.49) ALDH1A1MAPTPOLBGRK2SMN1; 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