SCHEMBL7888686

SCHEMBL7888686

Cn1c(C(F)(F)F)cc(=O)n(-c2c(F)cc(Br)c3c2CC(C)(C)O3)c1=O

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.32
PTGES O14684 2/20 0.31
EZH2 Q15910 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
SCHEMBL7889889 0.86
SCHEMBL8948507 0.83 PTGES (0.35) PTGES
SCHEMBL7888752 0.83 PTGES (0.30) PTGES
SCHEMBL9214107 0.83
SCHEMBL9220684 0.79 RIPK1 (0.32)
SCHEMBL7887203 0.79 MAOA (0.30)
SCHEMBL8948578 0.78 PTGES (0.32) PTGES
SCHEMBL7889720 0.76 RXFP1 (0.34)
SCHEMBL8948501 0.76 LMNA (0.34) NFE2L2PTGES
SCHEMBL12981738 0.75 PTGES (0.31) PTGES

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6174839-B1 AS HERBICIDE NIHON BAYER AGROCHEM K.K. (JP) 2001-01-16 US disclosed
US-5935907-A HERBICIDES NIHON BAYER AGROCHEM K.K. (JP) 1999-08-10 US disclosed
EP-0869123-A2 Phenylacetylene derivatives NIHON BAYER AGROCHEM K.K. (JP) 1998-10-07 EP disclosed