SCHEMBL10732012

SCHEMBL10732012

C[C@H](NC(=O)C(CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACE P12821 6/20 0.60
CMA1 P23946 5/20 0.54
LMNA P02545 1/20 0.51
PREP P48147 2/20 0.51
KLK5 Q9Y337 2/20 0.50
ACE2 Q9BYF1 1/20 0.50
KLK7 P49862 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
ADORA2A P29274 1/20 0.50
ADORA2B P29275 1/20 0.50
ADORA1 P30542 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.48
REN P00797 1/20 0.47

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
SCHEMBL7533944 0.92 ACE (0.65) ACECMA1LMNAKLK5ACE2
SCHEMBL29131321 0.92 ACE (0.65) ACECMA1LMNAKLK5ACE2
SCHEMBL29131320 0.92 ACE (0.65) ACECMA1LMNAKLK5ACE2
SCHEMBL10736853 0.88 ACE (0.61) ACELMNAACE2
SCHEMBL10736067 0.87 ACE (0.59) ACECMA1LMNAPREPKLK5
SCHEMBL15459281 0.85 ACE (0.53) ACECMA1LMNAPREPACE2
SCHEMBL15459284 0.85 ACE (0.53) ACECMA1LMNAPREPACE2
SCHEMBL20052434 0.85 ACE (0.53) ACECMA1LMNAPREPACE2
SCHEMBL20349138 0.85 CASP1 (0.57) ACECMA1LMNAPREPACE2
SCHEMBL15459276 0.85 CASP1 (0.57) ACECMA1LMNAPREPACE2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4642315-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1987-02-10 US disclosed
US-4587234-A HYPOTENSIVES E. R. SQUIBB & SONS, INC. (US) 1986-05-06 US disclosed
US-4499079-A ENZYME INHIBITORS, HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1985-02-12 US disclosed