SCHEMBL2834952

SCHEMBL2834952

COC(=O)/C=C(/OC)C(C)Oc1cc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)c(F)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPOX P50336 3/20 0.38
DHODH Q02127 14/20 0.36
BCAT2 O15382 2/20 0.32
BCAT1 P54687 2/20 0.32
PPARG P37231 1/20 0.32

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
SCHEMBL2838024 0.93 PPOX (0.36) PPOXDHODHPPARG
SCHEMBL1573554 0.93 PPOX (0.36) PPOXDHODHPPARG
SCHEMBL2838020 0.93 PPOX (0.36) PPOXDHODHPPARG
SCHEMBL1573707 0.93 DHODH (0.33) PPOXDHODHBCAT2BCAT1PPARG
SCHEMBL7178022 0.87 PPOX (0.43) PPOXDHODH
SCHEMBL12981626 0.87 PPOX (0.43) PPOXDHODH
SCHEMBL7719036 0.87 PPOX (0.40) PPOXDHODHPPARG
SCHEMBL4572159 0.87 PPOX (0.40) PPOXDHODHPPARG
SCHEMBL2149762 0.87 PPOX (0.40) PPOXDHODHPPARG
SCHEMBL1573413 0.86 PPARG (0.34) PPOXDHODHBCAT2BCAT1PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7754880-B2 Uracils having a herbicidal activity ISAGRO RICERCA S.R.L. (IT) 2010-07-13 US claimed