SCHEMBL6816280

SCHEMBL6816280

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

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
ATM Q13315 1/20 0.49
ADRB2 P07550 1/20 0.46
ADRB1 P08588 1/20 0.46
ADRB3 P13945 1/20 0.46
ALDH1A1 P00352 2/20 0.46
TSHR P16473 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ECE1 P42892 1/20 0.44
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44

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
SCHEMBL6816997 0.91 ALDH1A1 (0.47) ALDH1A1TSHRCA12CA1CA2
SCHEMBL6820140 0.91 KMT2A (0.52) KMT2AMEN1ALDH1A1TSHRCA12
SCHEMBL6816430 0.91 LMNA (0.55) KMT2AADRB2ADRB1ADRB3ALDH1A1
SCHEMBL31609210 0.90 GAA (0.53) KMT2AMEN1ALDH1A1CA12CA1
SCHEMBL5889715 0.90 GAA (0.53) KMT2AMEN1ALDH1A1CA12CA1
SCHEMBL31609211 0.90 GAA (0.53) KMT2AMEN1ALDH1A1CA12CA1
SCHEMBL31609209 0.90 GAA (0.53) KMT2AMEN1ALDH1A1CA12CA1
SCHEMBL6816330 0.90 MAPT (0.51) ALDH1A1CA12CA1CA2CA9
SCHEMBL6229108 0.90 ALDH1A1 (0.50) KMT2AMEN1ADRB2ALDH1A1MAPT
SCHEMBL6229114 0.90 ALDH1A1 (0.50) KMT2AMEN1ADRB2ALDH1A1MAPT

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