SCHEMBL6547382

SCHEMBL6547382

CCOC(COc1c(Cl)cc(OCC=C(Cl)Cl)cc1Cl)=NO

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
HTT P42858 2/20 0.34
GAA P10253 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
PKM P14618 1/20 0.33
CYP2C19 P33261 1/20 0.33
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31

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
SCHEMBL6549949 0.88 HTT (0.33) ALDH1A1HTTGAAL3MBTL1
SCHEMBL6549760 0.84 HTT (0.31) HTT
SCHEMBL6548998 0.83 HTT (0.34) HTTGAA
SCHEMBL6547982 0.83 HTT (0.39) ALDH1A1HTT
SCHEMBL8660426 0.82 ALDH1A1 (0.41) ALDH1A1HTTGAACYP1A2CYP3A4
SCHEMBL6547660 0.80 HTT (0.36) ALDH1A1HTTCYP1A2CYP3A4PKM
SCHEMBL8407690 0.79 HTT (0.41) HTT
SCHEMBL7626422 0.77 HTT (0.36) ALDH1A1HTTMEN1MAPTHPGD
SCHEMBL6547551 0.77 HTT (0.47) ALDH1A1HTTPKMMAPTKMT2A
SCHEMBL6548358 0.76 HTT (0.36) ALDH1A1HTTMEN1MAPTHPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0975586-B1 OXIME COMPOUNDS, THEIR USE, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL CO (JP) 2004-12-01 EP disclosed
US-6437184-B1 INSECTICIDES, ACARICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-08-20 US disclosed
EP-0975586-A2 OXIME COMPOUNDS, THEIR USE, AND INTERMEDIATES FOR THEIR PRODUCTION Sumitomo Chemical Company, Limited (JP) 2000-02-02 EP disclosed
WO-1998045254-A2 OXIME COMPOUNDS, THEIR USE, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-10-15 WO disclosed