SCHEMBL10573241

SCHEMBL10573241

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

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BCAT1 P54687 5/20 0.34
BCAT2 O15382 4/20 0.34
DHODH Q02127 10/20 0.33
PPOX P50336 4/20 0.33
GPR35 Q9HC97 1/20 0.30

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
SCHEMBL10579666 0.89 BCAT1 (0.36) BCAT1BCAT2DHODHPPOX
SCHEMBL5655918 0.88 DHODH (0.36) BCAT1BCAT2DHODHPPOX
SCHEMBL10579672 0.88 BCAT1 (0.34) BCAT1BCAT2DHODHPPOX
SCHEMBL10576855 0.88 BCAT1 (0.34) BCAT1BCAT2DHODHPPOX
SCHEMBL10577739 0.87 MAPT (0.34) BCAT1BCAT2DHODHPPOX
SCHEMBL10579689 0.87 MAOA (0.37) BCAT1BCAT2DHODHPPOX
SCHEMBL27674206 0.87 KAT2B (0.37) BCAT1BCAT2DHODHPPOX
SCHEMBL10576721 0.87 BCAT1 (0.46) BCAT1BCAT2PPOX
SCHEMBL10575973 0.85 POLB (0.35) BCAT1BCAT2DHODHPPOX
SCHEMBL10573606 0.85 PPOX (0.35) BCAT1BCAT2DHODHPPOX

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-4859229-A HERBICIDES HOFFMANN-LA ROCHE INC. (US) 1989-08-22 US disclosed