SCHEMBL7441105

SCHEMBL7441105

COc1ccc(CSC[C@H](NC(=O)C(CS)Cc2ccccc2)C(=O)O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ACE P12821 4/20 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
SCHEMBL7444467 0.90 ACE (0.81) ACE
SCHEMBL7431829 0.90 ACE (0.81) ACE
SCHEMBL7441978 0.88 ACE (0.81) ACE
SCHEMBL10825005 0.88 ACE (0.79) ACE
SCHEMBL7324885 0.86 ACE (0.76) ACE
SCHEMBL8447572 0.85 ACE (0.74) ACE
SCHEMBL6169325 0.85 ACE (0.74) ACE
SCHEMBL6169327 0.85 ACE (0.74) ACE
SCHEMBL7324587 0.84 ACE (0.78) ACE
SCHEMBL5695591 0.84 ACE (1.00) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5262436-A Administering; enzyme inhibitor SCHERING CORPORATION (US) 1993-11-16 US disclosed
US-5061710-A Atrial natriuretic factors SCHERING CORPORATION (US) 1991-10-29 US disclosed
US-4929641-A DIURETICS, ANGIOTENSIN CONVERTING ENZYMES SCHERING CORPORATION (US) 1990-05-29 US disclosed
US-4801609-A Mercapto-acylamino acid antihypertensives SCHERING CORPORATION (US) 1989-01-31 US disclosed