SCHEMBL1573699

SCHEMBL1573699

CO/C(=C\C(=O)O)C(C)Oc1cc(-n2c(=O)cc(C(F)(F)F)[nH]c2=O)c(F)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BCAT1 P54687 19/20 0.50
BCAT2 O15382 17/20 0.50
PPOX P50336 1/20 0.38

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
SCHEMBL4572165 0.89 BCAT1 (0.54) BCAT1BCAT2PPOX
SCHEMBL1573554 0.82 PPOX (0.36) PPOX
SCHEMBL2838020 0.82 PPOX (0.36) PPOX
SCHEMBL2838024 0.82 PPOX (0.36) PPOX
SCHEMBL10575514 0.82 PPOX (0.57) BCAT1BCAT2PPOX
SCHEMBL10530843 0.82 BCAT1 (0.60) BCAT1BCAT2PPOX
SCHEMBL2841440 0.81 BCAT1 (0.51) BCAT1BCAT2PPOX
SCHEMBL2841434 0.81 BCAT1 (0.51) BCAT1BCAT2PPOX
SCHEMBL2841437 0.81 BCAT1 (0.51) BCAT1BCAT2PPOX
SCHEMBL1573647 0.81 PPOX (0.35) BCAT1BCAT2PPOX

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
EP-1585737-B8 URACILS HAVING A HERBICIDAL ACTIVITY ISAGRO SPA (IT) 2011-04-13 EP disclosed