SCHEMBL8950314

SCHEMBL8950314

CC(=O)OCCCN1C(CN2CCOCC2)=Cc2cc(S(N)(=O)=O)sc2S1(=O)=O

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 15/20 0.57
CA4 P22748 4/20 0.57
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
PKM P14618 1/20 0.37
PTGS2 P35354 2/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA13 Q8N1Q1 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
LMNA P02545 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL8950415 0.95 CA2 (0.58) CA2CA4
Hydrochloric Acid SCHEMBL8950096 0.94 CA2 (0.57) CA2CA4
SCHEMBL8950382 0.89 CA2 (0.62) CA2CA4CA12CA1CA6
Hydrochloric Acid SCHEMBL8950454 0.89 CA2 (0.61) CA2CA4CA12CA1CA6
SCHEMBL8950346 0.86 CA2 (0.55) CA2CA4PTGS2CA1CA9
Hydrochloric Acid SCHEMBL8950267 0.86 CA2 (0.55) CA2CA4PTGS2
SCHEMBL8950210 0.86 CA2 (0.64) CA2CA4CA12CA1CA6
SCHEMBL8950455 0.86 CA2 (0.61) CA2CA4
Hydrochloric Acid SCHEMBL8950207 0.85 CA2 (0.54) CA2CA4
SCHEMBL8950256 0.84 CA2 (0.64) CA2CA4

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-5538966-A ENZYME INHIBITORS FOR TREATMENT OF GLAUCOMA ALCON LABORATORIES, INC. (US) 1996-07-23 US disclosed