SCHEMBL8248779

SCHEMBL8248779

CC1(C)OCC([C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@@H]2OS(=O)(=O)C(F)(F)F)O1

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 9/20 0.72
▸ CA1 P00915 7/20 0.72
▸ CA9 Q16790 4/20 0.72
▸ CA12 O43570 2/20 0.35
▸ CA4 P22748 2/20 0.35
▸ CA5A P35218 2/20 0.35
▸ CA7 P43166 2/20 0.35
▸ CA14 Q9ULX7 2/20 0.35
▸ CA5B Q9Y2D0 2/20 0.35
▸ CA6 P23280 1/20 0.35
▸ CA13 Q8N1Q1 1/20 0.35

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
SCHEMBL9911368 1.00 CA2 (0.72) CA2CA1CA9CA12CA4
SCHEMBL14414834 1.00 CA2 (0.72) CA2CA1CA9CA12CA4
SCHEMBL1370811 1.00 CA2 (0.72) CA2CA1CA9CA12CA4
SCHEMBL23902622 1.00 CA2 (0.72) CA2CA1CA9CA12CA4
SCHEMBL1170798 1.00 CA2 (0.72) CA2CA1CA9CA12CA4
SCHEMBL23902613 1.00 CA2 (0.72) CA2CA1CA9CA12CA4
SCHEMBL14419747 1.00 CA2 (0.72) CA2CA1CA9CA12CA4
SCHEMBL9911234 1.00 CA2 (0.72) CA2CA1CA9CA12CA4
SCHEMBL5665101 0.86 CA2 (0.81) CA2CA1CA9CA12CA4
SCHEMBL2757717 0.86 CA2 (0.81) CA2CA1CA9CA12CA4

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
WO-2007006714-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2007-01-18 — — WO disclosed
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