SCHEMBL6815462

SCHEMBL6815462

CCC#CCOc1ccc(CCNC(=O)C(O)c2ccc(C(F)(F)F)cc2)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.45
PPARD Q03181 4/20 0.45
PTGER1 P34995 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
KDM4E B2RXH2 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
PPARG P37231 1/20 0.41
GAA P10253 1/20 0.40
RAF1 P04049 1/20 0.40

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
SCHEMBL6817053 0.93 PPARD (0.43) PPARAPPARDPTGER1ALDH1A1TP53
SCHEMBL6813055 0.89 ALDH1A1 (0.44) PPARAPPARDPTGER1ALDH1A1TP53
SCHEMBL6816682 0.89 LMNA (0.53) ALDH1A1MAPTLMNACA12CA1
SCHEMBL6817386 0.88 ALDH1A1 (0.49) ALDH1A1MAPTLMNACA12CA1
SCHEMBL6816474 0.88 GAA (0.52) ALDH1A1TP53LMNAGAA
SCHEMBL6544322 0.85 ALDH1A1 (0.46) ALDH1A1MAPTLMNACA12CA1
SCHEMBL4367196 0.82 TMEM97 (0.55) PPARAPPARDACHE
SCHEMBL4367223 0.82 TMEM97 (0.55) PPARAPPARDACHE
SCHEMBL4367191 0.82 TMEM97 (0.55) PPARAPPARDACHE
SCHEMBL6816190 0.82 LMNA (0.52) ALDH1A1MAPTLMNACA12CA1

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