SCHEMBL11271111

SCHEMBL11271111

CC(=O)SC[C@@H](C)C(=O)N1CC(=O)C[C@H]1C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACE P12821 7/20 0.68
KMT2A Q03164 1/20 0.40

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
SCHEMBL11305254 1.00 ACE (0.68) ACEKMT2A
SCHEMBL11268004 0.88 ACE (0.53) ACE
SCHEMBL11270493 0.87 ACE (0.59) ACE
SCHEMBL11182498 0.85 ACE (0.67) ACEKMT2A
SCHEMBL11182501 0.85 ACE (0.67) ACEKMT2A
SCHEMBL11266618 0.84 ACE (0.50) ACE
SCHEMBL11263906 0.84 ACE (0.50) ACE
SCHEMBL11266614 0.84 ACE (0.50) ACE
SCHEMBL11268825 0.82 ACE (0.48) ACE
SCHEMBL9471239 0.81 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4330548-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1982-05-18 US disclosed
US-4296113-A FOR TREATING HYPERTENSION BY INHIBITING ANGIOTENSIN CONVERTING ENZYME E. R. SQUIBB & SONS, INC. (US) 1981-10-20 US disclosed