SCHEMBL6816682

SCHEMBL6816682

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

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.53
ALDH1A1 P00352 3/20 0.50
KMT2A Q03164 1/20 0.48
THRB P10828 1/20 0.48
MAPT P10636 3/20 0.48
PKM P14618 1/20 0.48
ADRB2 P07550 1/20 0.46
ADRB1 P08588 1/20 0.46
ADRB3 P13945 1/20 0.46
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 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
SCHEMBL6816190 0.93 LMNA (0.52) LMNAALDH1A1KMT2ATHRBMAPT
SCHEMBL6817386 0.91 ALDH1A1 (0.49) LMNAALDH1A1MAPTADRB2ADRB1
SCHEMBL6816474 0.91 GAA (0.52) LMNAALDH1A1KMT2ATHRB
SCHEMBL6815462 0.89 PPARA (0.45) LMNAALDH1A1MAPTBCHEACHE
SCHEMBL6816430 0.88 LMNA (0.55) LMNAALDH1A1KMT2ATHRBMAPT
SCHEMBL6544322 0.88 ALDH1A1 (0.46) LMNAALDH1A1KMT2AMAPTBCHE
SCHEMBL6815534 0.84 ALDH1A1 (0.48) LMNAALDH1A1MAPTBCHEACHE
SCHEMBL6816408 0.84 GAA (0.50) LMNAALDH1A1KMT2ATHRB
SCHEMBL6816997 0.82 ALDH1A1 (0.47) LMNAALDH1A1MAPTBCHEACHE
SCHEMBL6817053 0.82 PPARD (0.43) LMNAALDH1A1MAPTBCHEACHE

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