SCHEMBL6813055

SCHEMBL6813055

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
PPARA Q07869 3/20 0.44
PPARD Q03181 2/20 0.44
KDM4E B2RXH2 1/20 0.43
TDP1 Q9NUW8 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
PTGER1 P34995 1/20 0.42
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
GAA P10253 1/20 0.41
RAF1 P04049 1/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PPARG P37231 1/20 0.41
TP53 P04637 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
SCHEMBL6816280 0.90 KMT2A (0.49) ALDH1A1LMNACA12CA1CA2
SCHEMBL6815462 0.89 PPARA (0.45) ALDH1A1PPARAPPARDKDM4ETDP1
SCHEMBL6227589 0.89 PPARA (0.43) ALDH1A1PPARAPPARDKDM4ETDP1
SCHEMBL6227591 0.89 PPARA (0.43) ALDH1A1PPARAPPARDKDM4ETDP1
SCHEMBL6816997 0.89 ALDH1A1 (0.47) ALDH1A1LMNACA12CA1CA2
SCHEMBL6816430 0.89 LMNA (0.55) ALDH1A1LMNACA12CA1CA2
SCHEMBL6820140 0.89 KMT2A (0.52) ALDH1A1LMNACA12CA1CA2
SCHEMBL5889715 0.88 GAA (0.53) ALDH1A1LMNACA12CA1CA2
SCHEMBL31609209 0.88 GAA (0.53) ALDH1A1LMNACA12CA1CA2
SCHEMBL31609210 0.88 GAA (0.53) ALDH1A1LMNACA12CA1CA2

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