SCHEMBL6816997

SCHEMBL6816997

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

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.45
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 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
SCHEMBL6816430 0.92 LMNA (0.55) ALDH1A1CA12CA1CA2CA9
SCHEMBL6820140 0.92 KMT2A (0.52) ALDH1A1CA12CA1CA2CA9
SCHEMBL31609211 0.91 GAA (0.53) ALDH1A1CA12CA1CA2CA9
SCHEMBL31609210 0.91 GAA (0.53) ALDH1A1CA12CA1CA2CA9
SCHEMBL5889715 0.91 GAA (0.53) ALDH1A1CA12CA1CA2CA9
SCHEMBL6816280 0.91 KMT2A (0.49) ALDH1A1CA12CA1CA2CA9
SCHEMBL31609209 0.91 GAA (0.53) ALDH1A1CA12CA1CA2CA9
SCHEMBL6816330 0.91 MAPT (0.51) ALDH1A1CA12CA1CA2CA9
SCHEMBL6229108 0.91 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2MAPT
SCHEMBL6229114 0.91 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2MAPT

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