SCHEMBL11268004

SCHEMBL11268004

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

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACE P12821 6/20 0.53
DPP4 P27487 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
CPB2 Q96IY4 1/20 0.33

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
SCHEMBL11266614 0.93 ACE (0.50) ACEDPP4DPP8DPP9
SCHEMBL11266618 0.93 ACE (0.50) ACEDPP4DPP8DPP9
SCHEMBL11271111 0.88 ACE (0.68) ACE
SCHEMBL11305254 0.88 ACE (0.68) ACE
SCHEMBL11263906 0.85 ACE (0.50) ACEDPP4DPP8DPP9
SCHEMBL11268825 0.83 ACE (0.48) ACEDPP4DPP8DPP9
SCHEMBL11162800 0.80 ACE (0.58) ACE
SCHEMBL11162795 0.80 ACE (0.58) ACE
SCHEMBL11267823 0.79 ACE (0.48) ACE
SCHEMBL11259700 0.78 ACE (0.41) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4330548-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1982-05-18 US disclosed
US-4296113-A FOR TREATING HYPERTENSION BY INHIBITING ANGIOTENSIN CONVERTING ENZYME E. R. SQUIBB & SONS, INC. (US) 1981-10-20 US disclosed