SCHEMBL6816977

SCHEMBL6816977

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

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
PKM P14618 1/20 0.47
ALDH1A1 P00352 5/20 0.46
NAMPT P43490 2/20 0.45
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
HPGD P15428 1/20 0.43
ALOX12 P18054 1/20 0.43
CTSD P07339 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 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
SCHEMBL6229114 0.89 ALDH1A1 (0.50) MAPTALDH1A1SMN1; SMN2HPGDALOX12
SCHEMBL6229108 0.89 ALDH1A1 (0.50) MAPTALDH1A1SMN1; SMN2HPGDALOX12
SCHEMBL6226958 0.89 MAPT (0.49) MAPTRXFP1PKMALDH1A1NAMPT
SCHEMBL6226962 0.89 MAPT (0.49) MAPTRXFP1PKMALDH1A1NAMPT
SCHEMBL6820140 0.89 KMT2A (0.52) MAPTPKMALDH1A1BCHEACHE
SCHEMBL6819827 0.88 SMN1; SMN2 (0.54) MAPTPKMALDH1A1SMN1; SMN2HPGD
SCHEMBL6815430 0.88 MAPT (0.48) MAPTRXFP1PKMALDH1A1NAMPT
SCHEMBL6816430 0.87 LMNA (0.55) MAPTPKMALDH1A1BCHEACHE
SCHEMBL6816997 0.87 ALDH1A1 (0.47) MAPTALDH1A1BCHEACHESMN1; SMN2
SCHEMBL6815835 0.86 ALDH1A1 (0.47) MAPTALDH1A1BCHEACHESMN1; 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