SCHEMBL8948604

SCHEMBL8948604

COc1ccc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)c2c1CC(C)(C)O2

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 4/20 0.34
PDE4D Q08499 2/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
CTSA P10619 1/20 0.33
BCAT1 P54687 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL8948489 0.86 PTGES (0.34) ALDH1A1
SCHEMBL8948557 0.81 LMNA (0.30) BCAT1
SCHEMBL8948562 0.79
SCHEMBL8948746 0.75 PTGES (0.31)
SCHEMBL9219310 0.75 PGR (0.32)
SCHEMBL8175929 0.73 BCAT1 (0.41) BCAT1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL8948507 0.73 PTGES (0.35)
SCHEMBL7888686 0.73 NFE2L2 (0.32)
SCHEMBL8914465 0.72 BCAT1 (0.37) BCAT1
SCHEMBL8948738 0.71 AR (0.35)

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
US-5521147-A HERBICIDES FMC CORPORATION (US) 1996-05-28 US disclosed
WO-1995005079-A1 3-(BENZOFURAN-7-YL)-6-HALOALKYLURACILS FMC CORPORATION (US) 1995-02-23 WO disclosed