SCHEMBL8049775

SCHEMBL8049775

Cc1ccc(C(F)(F)F)c([O])c1C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.32
AR P10275 2/20 0.32
HSD11B1 P28845 1/20 0.31
CES2 O00748 1/20 0.31
DAO P14920 1/20 0.30
TAS2R14 Q9NYV8 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
SCHEMBL7298662 0.81 CES2 (0.34) HSD11B1CES2DAO
SCHEMBL13199206 0.77 AR (0.41) ARHSD11B1DAOTAS2R14
SCHEMBL12154091 0.75 CYP1A2 (0.33) NOTUMARHSD11B1
SCHEMBL6023192 0.74 AR (0.35) NOTUMARHSD11B1
SCHEMBL8066356 0.74 GAA (0.34) CES2
SCHEMBL14423252 0.74 CYP1A2 (0.35)
SCHEMBL10744876 0.71 TDP2 (0.32)
SCHEMBL394894 0.71 GABRA1 (0.34)
SCHEMBL12260037 0.69 AR (0.33) ARHSD11B1
SCHEMBL13160060 0.69 AR (0.33) ARHSD11B1TAS2R14

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-6057336-A ANTIINFLAMMATORY AGENTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2000-05-02 US disclosed