SCHEMBL9068520

SCHEMBL9068520

CC(CS)C(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACE P12821 14/20 0.56
MME P08473 4/20 0.51

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
SCHEMBL23835494 0.88 ACE (0.71) ACE
SCHEMBL930664 0.88 ACE (0.71) ACE
SCHEMBL16314051 0.86 MME (0.56) ACEMME
SCHEMBL929013 0.83 ACE (0.55) ACE
SCHEMBL9068566 0.83 ALDH1A1 (0.58) ACEMME
SCHEMBL9068730 0.83 ACE (0.55) ACEMME
SCHEMBL929011 0.83 ACE (0.55) ACE
SCHEMBL9068565 0.83 ALDH1A1 (0.58) ACEMME
SCHEMBL9068766 0.83 ACE (0.55) ACEMME
SCHEMBL8726316 0.83 ACE (0.55) 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-5496805-A DIURETIC, HYPOTENSIVE E. R. SQUIBB & SONS, INC. (US) 1996-03-05 US disclosed