SCHEMBL8950415

SCHEMBL8950415

CC(=O)OCCN1C(CN2CCOCC2)=Cc2cc(S(N)(=O)=O)sc2S1(=O)=O

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CA2 P00918 18/20 0.58
CA4 P22748 3/20 0.58
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 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 SCHEMBL8950096 0.99 CA2 (0.57) CA2CA4SMN1; SMN2L3MBTL1
SCHEMBL8950314 0.95 CA2 (0.57) CA2CA4
SCHEMBL8950210 0.89 CA2 (0.64) CA2CA4
Hydrochloric Acid SCHEMBL8950207 0.86 CA2 (0.54) CA2CA4SMN1; SMN2L3MBTL1
SCHEMBL8950408 0.86 CA2 (0.62) CA2CA4
SCHEMBL8950256 0.86 CA2 (0.64) CA2CA4
SCHEMBL8950382 0.85 CA2 (0.62) CA2CA4
Hydrochloric Acid SCHEMBL8950254 0.85 CA2 (0.61) CA2CA4
SCHEMBL8950259 0.85 CA2 (0.63) CA2CA4
Hydrochloric Acid SCHEMBL8950454 0.85 CA2 (0.61) 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 claimed