SCHEMBL5174653

SCHEMBL5174653

C=CCOC(=O)C(C)(C)OC(=O)c1cc(-c2c(C(F)(F)F)n(C)c(=O)[nH]c2=O)ccc1Cl

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
DNMT1 P26358 1/20 0.34
RECQL P46063 1/20 0.34
BLM P54132 1/20 0.34
KMT2A Q03164 1/20 0.34
MCL1 Q07820 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
XPA P23025 1/20 0.33

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
SCHEMBL31118277 0.81 GSK3A (0.38) GSK3AGSK3BKDM4EMEN1ALDH1A1
SCHEMBL9359135 0.77 GRIK1 (0.50) GSK3BKDM4EMEN1ALDH1A1POLB
Butafenacil SCHEMBL39148 0.73 XPA (0.34) GSK3AGSK3BXPA
Butafenacil SCHEMBL29482232 0.73 XPA (0.34) GSK3AGSK3BXPA
Butafenacil SCHEMBL20521380 0.73 XPA (0.34) GSK3AGSK3BXPA
SCHEMBL7687930 0.72 GAA (0.32)
SCHEMBL7050365 0.72 ALDH1A1 (0.39) GSK3AGSK3BKDM4EMEN1ALDH1A1
SCHEMBL17589370 0.69 XPA (0.34) GSK3AGSK3BXPA
Butafenacil SCHEMBL19463100 0.69 XPA (0.33) XPA
SCHEMBL6672249 0.69 SCN9A (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013020985-A1 ACTIVE COMPOUND COMBINATIONS COMPRISING SPECIFIC TETRAMIC ACID DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-02-14 WO disclosed
EP-1784075-A2 HERBICIDE COMBINATIONS COMPRISING SPECIAL KETOENOLES Bayer CropScience GmbH (DE) 2007-05-16 EP disclosed
WO-2006024411-A2 HERBICIDE COMBINATIONS COMPRISING SPECIAL KETOENOLES BAYER CROPSCIENCE GMBH (DE) 2006-03-09 WO disclosed