SCHEMBL9470353

SCHEMBL9470353

CC(CS)C(=O)N1Cc2ccccc2CC1C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ACE P12821 13/20 1.00

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
SCHEMBL11145862 1.00 ACE (1.00) ACE
SCHEMBL10923181 1.00 ACE (1.00) ACE
SCHEMBL11398819 0.89 ACE (0.79) ACE
SCHEMBL10824345 0.88 ACE (0.79) ACE
SCHEMBL10824344 0.88 ACE (0.79) ACE
Hydrochloric Acid SCHEMBL10751493 0.86 ACE (0.75) ACE
Hydrochloric Acid SCHEMBL10751499 0.86 ACE (0.75) ACE
SCHEMBL10914374 0.84 ACE (0.73) ACE
SCHEMBL10914377 0.84 ACE (0.73) ACE
SCHEMBL11168035 0.84 ACE (0.72) ACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5200416-A CYCLIC AMIDES USV PHARMACEUTICAL CORPORATION (US) 1993-04-06 US claimed
US-4595675-A Hypotensive agents HOECHST AKTIENGESELLSCHAFT (DE) 1986-06-17 US disclosed
US-4251444-A Thiazepino-[4,3-b]-isoquinoline-1,5-dione derivatives and precursors AMERICAN HOME PRODUCTS CORPORATION (US) 1981-02-17 US disclosed