SCHEMBL25510344

SCHEMBL25510344

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

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 15/20 0.44
▸ CA1 P00915 6/20 0.44
▸ CA9 Q16790 3/20 0.44
▸ CA12 O43570 2/20 0.36
▸ CA4 P22748 2/20 0.36
▸ CA5A P35218 2/20 0.36
▸ CA7 P43166 2/20 0.36
▸ CA14 Q9ULX7 2/20 0.36
▸ CA5B Q9Y2D0 2/20 0.36
▸ CA6 P23280 1/20 0.36
▸ CA13 Q8N1Q1 1/20 0.36

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
SCHEMBL25509882 1.00 CA2 (0.44) CA2CA1CA9CA12CA4
SCHEMBL3385867 0.73 CA2 (0.43) CA2CA1CA9CA12CA4
SCHEMBL20691325 0.73 CA1 (0.32) CA2CA1CA9
SCHEMBL907185 0.72 ALDH1A1 (0.41) —
SCHEMBL7153071 0.72 ALDH1A1 (0.41) —
SCHEMBL907186 0.72 ALDH1A1 (0.41) —
SCHEMBL7151311 0.72 ALDH1A1 (0.41) —
SCHEMBL13689312 0.72 ALDH1A1 (0.41) —
SCHEMBL14568784 0.72 CA1 (0.36) CA2CA1CA9
SCHEMBL372058 0.72 CA2 (0.45) 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
US-20230159922-A1 MODIFIED OLIGOMERIC COMPOUNDS AND USES THEREOF IONIS PHARMACEUTICALS, INC. (US) 2023-05-25 — — US disclosed
Send feedback