SCHEMBL6816615

SCHEMBL6816615

C#CCOc1ccc(CCNC(=O)/C(=N\OC)c2ccc(C)cc2)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.54
THRB P10828 1/20 0.53
KMT2A Q03164 2/20 0.48
LMNA P02545 4/20 0.47
MAPT P10636 3/20 0.47
PKM P14618 1/20 0.47
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
GAA P10253 1/20 0.44
POLB P06746 2/20 0.44
MEN1 O00255 1/20 0.44
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
ADRB3 P13945 1/20 0.43

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
SCHEMBL6816621 1.00 ALDH1A1 (0.54) ALDH1A1THRBKMT2ALMNAMAPT
SCHEMBL6817046 0.92 ALDH1A1 (0.51) ALDH1A1THRBMAPTHPGDSMN1; SMN2
SCHEMBL6816519 0.92 GAA (0.56) ALDH1A1THRBLMNAMAPTHPGD
SCHEMBL6817047 0.92 ALDH1A1 (0.51) ALDH1A1THRBMAPTHPGDSMN1; SMN2
SCHEMBL6816514 0.92 GAA (0.56) ALDH1A1THRBLMNAMAPTHPGD
SCHEMBL344325 0.89 ALDH1A1 (0.67) ALDH1A1THRBKMT2ALMNAMAPT
SCHEMBL344326 0.89 ALDH1A1 (0.67) ALDH1A1THRBKMT2ALMNAMAPT
SCHEMBL6812591 0.88 ALDH1A1 (0.49) ALDH1A1THRBKMT2ALMNAMAPT
SCHEMBL6812586 0.88 ALDH1A1 (0.49) ALDH1A1THRBKMT2ALMNAMAPT
SCHEMBL6816867 0.87 ALDH1A1 (0.59) ALDH1A1THRBKMT2ALMNAMAPT

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