SCHEMBL8950346

SCHEMBL8950346

CCOC(=O)CCCN1C(CN2CCOCC2)=Cc2cc(S(N)(=O)=O)sc2S1(=O)=O

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 14/20 0.55
CA4 P22748 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.38
ABL1 P00519 1/20 0.38
RIN1 Q13671 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
RAB9A P51151 1/20 0.35
PTGS2 P35354 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33

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
Hydrochloric Acid SCHEMBL8950267 0.99 CA2 (0.55) CA2CA4L3MBTL1ABL1RIN1
SCHEMBL8950314 0.86 CA2 (0.57) CA2CA4PTGS2CA1CA9
SCHEMBL8950408 0.85 CA2 (0.62) CA2CA4CA1CA9
SCHEMBL8950415 0.84 CA2 (0.58) CA2CA4L3MBTL1
SCHEMBL8950382 0.84 CA2 (0.62) CA2CA4CA1CA9
SCHEMBL8950455 0.84 CA2 (0.61) CA2CA4
Hydrochloric Acid SCHEMBL8950254 0.84 CA2 (0.61) CA2CA4
SCHEMBL8950259 0.84 CA2 (0.63) CA2CA4CA1CA9
Hydrochloric Acid SCHEMBL8950096 0.84 CA2 (0.57) CA2CA4L3MBTL1
Hydrochloric Acid SCHEMBL8950454 0.84 CA2 (0.61) 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
US-5538966-A ENZYME INHIBITORS FOR TREATMENT OF GLAUCOMA ALCON LABORATORIES, INC. (US) 1996-07-23 US claimed
US-5538966-A ENZYME INHIBITORS FOR TREATMENT OF GLAUCOMA ALCON LABORATORIES, INC. (US) 1996-07-23 US disclosed