SCHEMBL7943436

SCHEMBL7943436

C=C(C)COc1cc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)c(F)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPOX P50336 9/20 0.37
BCAT1 P54687 4/20 0.31
BCAT2 O15382 3/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.31
DHODH Q02127 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
SCHEMBL6230385 0.91 PPOX (0.39) PPOXBCAT1BCAT2MEN1LMNA
SCHEMBL10577900 0.89 PKM (0.40) PPOXMEN1LMNAKMT2A
SCHEMBL7253328 0.88 PPOX (0.39) PPOXBCAT1BCAT2MEN1LMNA
SCHEMBL27674223 0.87 PPOX (0.35) PPOXBCAT1BCAT2DHODH
SCHEMBL10578933 0.87 PPOX (0.37) PPOXBCAT1BCAT2
SCHEMBL10577873 0.86 PPOX (0.35) PPOXBCAT1BCAT2DHODH
SCHEMBL10574921 0.86 PPOX (0.44) PPOXBCAT1BCAT2
SCHEMBL10571686 0.86 PPOX (0.38) PPOXMEN1LMNAKMT2ADHODH
SCHEMBL10574678 0.86 PPOX (0.39) PPOXMEN1LMNAKMT2ADHODH
SCHEMBL10573583 0.85 PPOX (0.37) PPOXBCAT1BCAT2DHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6207830-B1 REACTING AN ISOCYANATE WITH AN ENAMINE IN PRESENCE OF A BASE SYNGENTA CROP PROTECTION, INC. 2001-03-27 US claimed
EP-0831091-A2 Process for the production of 3-aryl-uracils Novartis AG (CH) 1998-03-25 EP claimed
US-6207830-B1 REACTING AN ISOCYANATE WITH AN ENAMINE IN PRESENCE OF A BASE SYNGENTA CROP PROTECTION, INC. 2001-03-27 US disclosed
EP-0617033-B1 Dihydrobenzofuran derivatives, their production and use SUMITOMO CHEMICAL CO (JP) 1998-08-12 EP disclosed
EP-0831091-A2 Process for the production of 3-aryl-uracils Novartis AG (CH) 1998-03-25 EP disclosed
US-5714437-A WEED EXTERMINATION; MORNING GLORIES, VELVET LEAF PLANTS, BARNYARD GRASS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-02-03 US disclosed
EP-0705829-A1 Epoxyphenol derivatives and herbicides containing them as active ingredients SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-04-10 EP disclosed
EP-0617033-A1 Dihydrobenzofuran derivatives, their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1994-09-28 EP disclosed