SCHEMBL11208686

SCHEMBL11208686

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

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ACE P12821 1/20 0.30

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
SCHEMBL11212474 0.82 LMNA (0.52) LMNACYP2C19HSD17B10
SCHEMBL11212105 0.80 ACE (0.42) ACE
SCHEMBL11215539 0.79 ACE (0.32) ACE
SCHEMBL11210375 0.78 LMNA (0.33) LMNACYP2C19HSD17B10
SCHEMBL11212958 0.77 ACE (0.38) ACE
SCHEMBL11210147 0.76 ACE (0.50) ACE
SCHEMBL11214777 0.76 ACE (0.50) ACE
SCHEMBL11212082 0.75 ACE (0.36) ACE
SCHEMBL11209974 0.75 ACE (0.35) ACE
SCHEMBL11211617 0.74 ACE (0.36) 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