SCHEMBL9215993

SCHEMBL9215993

Cn1c(C(F)(F)F)cc(=O)n(-c2c(F)cc(C#N)c3c2OC(C)(C)O3)c1=O

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.31
BCAT2 O15382 4/20 0.31
BCAT1 P54687 4/20 0.31

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
SCHEMBL9215594 0.85 AR (0.32) PGR
SCHEMBL9221852 0.85
SCHEMBL9221588 0.84
SCHEMBL9214107 0.84
SCHEMBL8948727 0.76 AR (0.31)
SCHEMBL8193759 0.76 BCAT2 (0.40) BCAT2BCAT1
SCHEMBL7888752 0.75 PTGES (0.30)
SCHEMBL8948507 0.74 PTGES (0.35)
SCHEMBL8300937 0.74
SCHEMBL5848585 0.74 BCAT1 (0.43) BCAT2BCAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995005080-A1 3-(BICYCLIC HETEROCYCLYL)-6-FLUOROALKYLURACILS FMC CORPORATION (US) 1995-02-23 WO disclosed
US-5346881-A Herbicides FMC CORPORATION (US) 1994-09-13 US disclosed