SCHEMBL7340813

SCHEMBL7340813

CO[C@@H]1C[C@@H](C(=O)O)N(C(=O)C(C)CSC(C)=O)C1

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.50
KMT2A Q03164 1/20 0.46

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
SCHEMBL7344158 1.00 ACE (0.50) ACEKMT2A
SCHEMBL7340812 1.00 ACE (0.50) ACEKMT2A
SCHEMBL7340398 0.88 ACE (0.48) ACEKMT2A
SCHEMBL7350098 0.88 ACE (0.48) ACEKMT2A
SCHEMBL7340391 0.88 ACE (0.48) ACEKMT2A
SCHEMBL7340913 0.86 ACE (0.47) ACEKMT2A
SCHEMBL11397628 0.86 ACE (0.47) ACEKMT2A
SCHEMBL11390463 0.85 ACE (0.47) ACEKMT2A
SCHEMBL11391318 0.85 ACE (0.47) ACEKMT2A
SCHEMBL7347386 0.85 ACE (0.47) ACEKMT2A

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