SCHEMBL6816408

SCHEMBL6816408

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

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
ALDH1A1 P00352 2/20 0.49
CNR1 P21554 1/20 0.48
CTSD P07339 4/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TP53 P04637 1/20 0.43
THRB P10828 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
SCHEMBL6816474 0.93 GAA (0.52) GAAALDH1A1CNR1CTSDKMT2A
SCHEMBL6816190 0.92 LMNA (0.52) ALDH1A1KMT2ALMNATHRB
SCHEMBL6812132 0.91 ALDH1A1 (0.44) GAAALDH1A1CNR1CTSDKMT2A
SCHEMBL6815534 0.91 ALDH1A1 (0.48) ALDH1A1LMNASMN1; SMN2
SCHEMBL6817053 0.89 PPARD (0.43) ALDH1A1LMNATP53
SCHEMBL5889715 0.87 GAA (0.53) GAAALDH1A1CNR1CTSDKMT2A
SCHEMBL31609211 0.87 GAA (0.53) GAAALDH1A1CNR1CTSDKMT2A
SCHEMBL31609209 0.87 GAA (0.53) GAAALDH1A1CNR1CTSDKMT2A
SCHEMBL31609210 0.87 GAA (0.53) GAAALDH1A1CNR1CTSDKMT2A
SCHEMBL6815430 0.87 MAPT (0.48) ALDH1A1CTSDKMT2ASMN1; 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1021183-B1 A COMBINATION OF A SELECTIVE 5-HT1A ANTAGONIST AND A SELECTIVE h5-HT1B ANTAGONIST OR PARTIAL AGONIST ASTRAZENECA AB (SE) 2004-03-17 EP claimed
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