SCHEMBL7339371

SCHEMBL7339371

CC(=O)SCC(C)C(=O)N1CC(OCCc2ccccc2)C[C@H]1C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACE P12821 4/20 0.53
AGTR2 P50052 5/20 0.52
KMT2A Q03164 1/20 0.49

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
SCHEMBL7339378 1.00 ACE (0.53) ACEAGTR2KMT2A
SCHEMBL7346050 0.90 ACE (0.55) ACEAGTR2KMT2A
SCHEMBL7339894 0.90 ACE (0.55) ACEAGTR2KMT2A
SCHEMBL7348413 0.85 ACE (0.56) ACEAGTR2
SCHEMBL7340981 0.85 ACE (0.56) ACEAGTR2
SCHEMBL7347386 0.84 ACE (0.47) ACEAGTR2KMT2A
SCHEMBL7347391 0.84 ACE (0.47) ACEAGTR2KMT2A
SCHEMBL11232584 0.83 ACE (0.57) ACEAGTR2KMT2A
SCHEMBL7340391 0.82 ACE (0.48) ACEAGTR2KMT2A
SCHEMBL7350098 0.82 ACE (0.48) ACEAGTR2KMT2A

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