SCHEMBL11210192

SCHEMBL11210192

CC(=O)SCC(CSC(C)=O)C(=O)N1CC2(CC1C(=O)O)C(=O)CCC2=O

nearest known ligand 0.38

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ACE P12821 4/20 0.38

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
SCHEMBL11218243 0.94 ACE (0.36) ACE
SCHEMBL11213000 0.89 ACE (0.50) ACE
SCHEMBL11214186 0.87 ACE (0.36) ACE
SCHEMBL11211954 0.85 ACE (0.35) ACE
SCHEMBL11217761 0.85 ACE (0.48) ACE
SCHEMBL11212426 0.81 ACE (0.31) ACE
SCHEMBL11214429 0.81 ACE (0.38) ACE
SCHEMBL11216062 0.80 ACE (0.37) ACE
SCHEMBL11216058 0.80 ACE (0.37) ACE
SCHEMBL11210409 0.79 ACE (0.38) 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-4311697-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1982-01-19 US disclosed