SCHEMBL8684580

SCHEMBL8684580

O=C1C(F)=C(F)C(=O)C(F)=C1F.O=Cc1c(F)c(F)cc(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.41
CA2 P00918 4/20 0.41
CA12 O43570 2/20 0.41
CA7 P43166 1/20 0.41
CA13 Q8N1Q1 1/20 0.41
CA4 P22748 2/20 0.32
CA9 Q16790 1/20 0.32
CES2 O00748 2/20 0.31
CES1 P23141 2/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 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
SCHEMBL441131 0.88 CA1 (0.44) CA1CA2CA12CA7CA13
SCHEMBL3716072 0.77 CA12 (0.37) CA1CA2CA12CA7CA13
SCHEMBL10497746 0.73 CA1 (0.41) CA1CA2CA12CA7CA13
SCHEMBL31178943 0.73 CA1 (0.37) CA1CA2CA12CA7CA13
SCHEMBL4746715 0.73 ERN1 (0.35) CA1CA2CA12CA7CA13
SCHEMBL18526977 0.73 ERN1 (0.38) CA1CA2CA12CA7CA13
SCHEMBL31015984 0.73 CA1 (0.37) CA1CA2CA12CA7CA13
SCHEMBL9478821 0.73 CA1 (0.37) CA1CA2CA12CA7CA13
SCHEMBL3969020 0.73 ERN1 (0.47) CA1CA2CA12CA7CA13
SCHEMBL28273088 0.73 CA1 (0.37) CA1CA2CA12CA7CA13

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-5744273-A Laminatable backing substrates containing fluoro compounds for improved toner flow XEROX CORPORATION (US) 1998-04-28 US disclosed