SCHEMBL6288709

SCHEMBL6288709

CCOCCOCCS(N)(=O)=O.COCCOCCS(N)(=O)=O

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA2 P00918 11/20 0.52
CA1 P00915 3/20 0.33
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.33
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
LOX P28300 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
SCHEMBL6277779 0.92 CA2 (0.59) CA2CA1CA5ACA7CA9
SCHEMBL6277563 0.92 CA2 (0.59) CA2CA1CA5ACA7CA9
SCHEMBL6222747 0.92 CA2 (0.59) CA2CA1CA5ACA7CA9
SCHEMBL6285121 0.92 CA2 (0.39) CA2CA1ALDH1A1TSHRCA5A
SCHEMBL6277726 0.92 CA2 (0.39) CA2CA1ALDH1A1TSHRCA5A
SCHEMBL6171423 0.87
SCHEMBL18974594 0.79 CA2 (0.55) CA2CA1TSHRCA5ACA7
SCHEMBL6288712 0.78 CA2 (0.38) CA2ALDH1A1TSHR
SCHEMBL668970 0.78
SCHEMBL9567053 0.78 ALDH1A1 (0.45) CA2ALDH1A1TSHR

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-6881755-B2 N-(2-aryl-propionyl)-sulfonamides and pharmaceutical preparations containing them Dompé S.p.A. (IT) 2005-04-19 US disclosed