SCHEMBL6815430

SCHEMBL6815430

CCCC#CCOc1ccc(CCNC(=O)C(O)c2ccc3ccccc3c2)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
PKM P14618 1/20 0.44
ALDH1A1 P00352 4/20 0.43
NAMPT P43490 2/20 0.42
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CTSD P07339 1/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL6816190 0.88 LMNA (0.52) MAPTPKMALDH1A1BCHEACHE
SCHEMBL6816977 0.88 MAPT (0.51) MAPTRXFP1PKMALDH1A1NAMPT
SCHEMBL6812132 0.87 ALDH1A1 (0.44) MAPTALDH1A1BCHEACHESMN1; SMN2
SCHEMBL6815534 0.87 ALDH1A1 (0.48) MAPTALDH1A1BCHEACHESMN1; SMN2
SCHEMBL6816408 0.87 GAA (0.50) ALDH1A1SMN1; SMN2CTSDKMT2A
SCHEMBL6815419 0.85 RXFP1 (0.43) MAPTRXFP1PKMALDH1A1NAMPT
SCHEMBL6817053 0.84 PPARD (0.43) MAPTALDH1A1BCHEACHE
SCHEMBL4366822 0.80 MAPT (0.52) MAPTRXFP1PKMALDH1A1KMT2A
SCHEMBL4366828 0.80 MAPT (0.52) MAPTRXFP1PKMALDH1A1KMT2A
SCHEMBL4368911 0.80 MAPT (0.52) MAPTRXFP1PKMALDH1A1KMT2A

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