SCHEMBL7346498

SCHEMBL7346498

Cc1ccc(CO[C@H]2C[C@@H](C(=O)O)N(C(=O)C(C)CS)C2)cc1

nearest known ligand 0.63

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ACE P12821 4/20 0.48

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
SCHEMBL7338505 0.91 ACE (0.58) ACE
SCHEMBL7349421 0.91 ACE (0.58) ACE
SCHEMBL7338501 0.91 ACE (0.58) ACE
SCHEMBL5698101 0.90 ACE (0.50) ACE
SCHEMBL11228559 0.81 ACE (0.51) ACE
SCHEMBL7348413 0.80 ACE (0.56) ACE
SCHEMBL7340981 0.80 ACE (0.56) ACE
SCHEMBL7340867 0.80 ACE (0.51) ACE
SCHEMBL7340862 0.80 ACE (0.51) ACE
SCHEMBL7340757 0.80 ACE (0.51) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4316906-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1982-02-23 US disclosed