SCHEMBL11212082

SCHEMBL11212082

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

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.36
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HDAC9 Q9UKV0 1/20 0.30
HDAC5 Q9UQL6 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
SCHEMBL11212105 0.92 ACE (0.42) ACE
SCHEMBL11215539 0.84 ACE (0.32) ACE
SCHEMBL11212457 0.82 ACE (0.34) ACE
SCHEMBL11214081 0.79 ACE (0.41) ACE
SCHEMBL11257080 0.78 ACE (0.37) ACEHDAC3HDAC4HDAC1HDAC7
SCHEMBL11210160 0.78 ACE (0.37) ACEHDAC3HDAC4HDAC1HDAC7
SCHEMBL11212958 0.77 ACE (0.38) ACE
SCHEMBL11210147 0.76 ACE (0.50) ACE
SCHEMBL11214777 0.76 ACE (0.50) ACE
SCHEMBL11212494 0.76 ACE (0.31) 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