SCHEMBL11212958

SCHEMBL11212958

COC1(OC)C[C@@H](C(=O)O)N(C(=O)C(CSC(C)=O)CSC(C)=O)C1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.38
CPB2 Q96IY4 1/20 0.31

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
SCHEMBL11208387 0.94 ACE (0.36) ACE
SCHEMBL11208390 0.94 ACE (0.36) ACE
SCHEMBL11210147 0.88 ACE (0.50) ACE
SCHEMBL11214777 0.88 ACE (0.50) ACE
SCHEMBL11211617 0.86 ACE (0.36) ACE
SCHEMBL11209974 0.84 ACE (0.35) ACE
SCHEMBL11210153 0.82 ACE (0.38) ACE
SCHEMBL11215539 0.81 ACE (0.32) ACE
SCHEMBL11221148 0.80 ACE (0.39) ACE
SCHEMBL11221151 0.80 ACE (0.39) 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