SCHEMBL9796342

SCHEMBL9796342

CC(C)OC(=O)c1cc(-n2c(=O)cc(C(F)(F)F)[nH]c2=O)c(F)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BCAT1 P54687 19/20 0.50
BCAT2 O15382 17/20 0.50

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
SCHEMBL10530802 0.92 BCAT1 (0.41) BCAT1BCAT2
SCHEMBL10532221 0.88 BCAT1 (0.56) BCAT1BCAT2
SCHEMBL9423008 0.87 BCAT1 (0.53) BCAT1BCAT2
SCHEMBL9706676 0.86 SMN1; SMN2 (0.40) BCAT1BCAT2
SCHEMBL7950194 0.86 BCAT1 (0.57) BCAT1BCAT2
SCHEMBL9581280 0.85 BCAT1 (0.50) BCAT1BCAT2
SCHEMBL30664027 0.85 BCAT1 (0.50) BCAT1BCAT2
SCHEMBL9877348 0.85 BCAT1 (0.50) BCAT1BCAT2
SCHEMBL22720000 0.83 BCAT1 (0.51) BCAT1BCAT2
SCHEMBL3321881 0.83 BCAT1 (0.51) BCAT1BCAT2

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
US-5041156-A 3-aryluracils for the control of weeds CIBA-GEIGY CORPORATION (US) 1991-08-20 US disclosed
US-4812164-A PYRIMIDINES HOFFMANN-LA ROCHE INC. (US) 1989-03-14 US disclosed
US-4760163-A 3-(5-carboxy-4-substituted-phenyl)-(thio)uracil-esters and salts HOFFMANN-LAROCHE INC. (US) 1988-07-26 US disclosed
US-4746352-A HERBICIDES HOFFMANN-LA ROCHE INC. (US) 1988-05-24 US disclosed