SCHEMBL8792811

SCHEMBL8792811

CCOC(OC)OC1CC(CN(C)C)Sc2sc(S(N)(=O)=O)cc21

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 18/20 0.34
CA1 P00915 4/20 0.34
CA12 O43570 1/20 0.32
CA3 P07451 1/20 0.32
AR P10275 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA13 Q8N1Q1 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL8793878 0.87 CA2 (0.38) CA2CA1CA12CA3AR
SCHEMBL8791618 0.87 CA2 (0.34) CA2CA1CA12CA3AR
SCHEMBL8793538 0.86 CA2 (0.43) CA2CA1CA12CA3AR
SCHEMBL8794511 0.83 CA2 (0.31) CA2CA1CA12CA3AR
SCHEMBL8792373 0.80 CA2 (0.33) CA2CA1CA12CA3AR
SCHEMBL8792563 0.77 CA2 (0.33) CA2CA1CA12CA3AR
SCHEMBL8793262 0.76
SCHEMBL8794293 0.72 CA2 (0.48) CA2CA1CA12CA3AR
SCHEMBL8792315 0.71 CA2 (0.47) CA2CA1CA12CA3AR
SCHEMBL8793295 0.70 CA2 (0.56) CA2CA1CA12CA3AR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0801649-A2 HYDROXYLAMINE DERIVATIVES USEFUL FOR ENHANCING THE MOLECULAR CHAPERON PRODUCTION AND THE PREPARATION THEREOF BIOREX KUTATO ES FEJLESZTÖ RT. (HU) 1997-10-22 EP disclosed
EP-0452151-B1 Substituted aromatic sulfonamides as antiglaucoma agents MERCK & CO INC (US) 1997-07-16 EP disclosed
WO-1997016439-A1 HYDROXYLAMINE DERIVATIVES USEFUL FOR ENHANCING THE MOLECULAR CHAPERON PRODUCTION AND THE PREPARATION THEREOF Biorex Kutató és Fejlesztó Rt. (HU) 1997-05-09 WO disclosed
EP-0452151-A1 Substituted aromatic sulfonamides as antiglaucoma agents MERCK & CO. INC. (US) 1991-10-16 EP disclosed