SCHEMBL9058844

SCHEMBL9058844

CC(C)(C)C(=O)OCC1=Cc2cc(S(N)(=O)=O)sc2SN1CCN1CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA2 P00918 17/20 0.40
CA4 P22748 2/20 0.40
CA1 P00915 3/20 0.32
CA9 Q16790 3/20 0.32
CA12 O43570 2/20 0.32
CA7 P43166 1/20 0.32
USP2 O75604 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31
POLB P06746 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
SCHEMBL9058179 0.90 CA2 (0.42) CA2CA4CA1CA9CA12
SCHEMBL9117323 0.83 CA2 (0.44) CA2CA4CA1CA9CA12
Hydrochloric Acid SCHEMBL8950224 0.81 CA2 (0.52) CA2CA4USP2
SCHEMBL9061894 0.79 CA2 (0.45) CA2CA4
SCHEMBL9058383 0.78 CA2 (0.44) CA2CA4HRH3
SCHEMBL9058281 0.77 CA2 (0.49) CA2CA4CA1CA9
SCHEMBL9058019 0.77 CA2 (0.47) CA2CA4CA1CA9CA12
SCHEMBL9057348 0.77 CA2 (0.49) CA2CA4CA1CA9CA12
SCHEMBL9057291 0.75 CA2 (0.48) CA2CA4CA1CA9CA12
SCHEMBL9057317 0.75 CA2 (0.45) CA2CA4CA1CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996022099-A1 OPHTHALMIC COMPOSITIONS FOR TREATING GLAUCOMA ALCON LABORATORIES, INC. (US) 1996-07-25 WO disclosed
WO-1995019981-A1 THIENOTHIAZINE SULFONAMIDE DERIVATIVES PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND THEIR USE AS CARBONIC ANHYDRASE INHIBITORS ALCON LABORATORIES, INC. (US) 1995-07-27 WO disclosed