SCHEMBL6815534

SCHEMBL6815534

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

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
MAPT P10636 2/20 0.48
POLB P06746 1/20 0.44
GRK2 P25098 1/20 0.44
LMNA P02545 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL6817386 0.93 ALDH1A1 (0.49) ALDH1A1MAPTPOLBGRK2LMNA
SCHEMBL6816190 0.92 LMNA (0.52) ALDH1A1MAPTLMNACA12CA1
SCHEMBL6816408 0.91 GAA (0.50) ALDH1A1LMNASMN1; SMN2
SCHEMBL6817053 0.89 PPARD (0.43) ALDH1A1MAPTLMNACA12CA1
SCHEMBL6812132 0.88 ALDH1A1 (0.44) ALDH1A1MAPTLMNACA12CA1
SCHEMBL6816330 0.87 MAPT (0.51) ALDH1A1MAPTPOLBGRK2LMNA
SCHEMBL6815430 0.87 MAPT (0.48) ALDH1A1MAPTBCHEACHESMN1; SMN2
SCHEMBL8974937 0.85 ALDH1A1 (0.62) ALDH1A1MAPTPOLBGRK2LMNA
SCHEMBL6816682 0.84 LMNA (0.53) ALDH1A1MAPTLMNACA12CA1
SCHEMBL6816474 0.83 GAA (0.52) ALDH1A1LMNASMN1; 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