SCHEMBL7340270

SCHEMBL7340270

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

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.45
AGTR2 P50052 2/20 0.42
KMT2A Q03164 1/20 0.41

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
SCHEMBL7340264 1.00 ACE (0.45) ACEAGTR2KMT2A
SCHEMBL7340398 0.86 ACE (0.48) ACEAGTR2KMT2A
SCHEMBL7340391 0.86 ACE (0.48) ACEAGTR2KMT2A
SCHEMBL7350098 0.86 ACE (0.48) ACEAGTR2KMT2A
SCHEMBL7347386 0.84 ACE (0.47) ACEAGTR2KMT2A
SCHEMBL7347391 0.84 ACE (0.47) ACEAGTR2KMT2A
SCHEMBL7346667 0.84 ACE (0.47) ACE
SCHEMBL7346671 0.84 ACE (0.47) ACE
SCHEMBL7344158 0.83 ACE (0.50) ACEKMT2A
SCHEMBL7340813 0.83 ACE (0.50) 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