SCHEMBL7327684

SCHEMBL7327684

CC(=O)SCC(C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MME P08473 10/20 0.57
ACE P12821 10/20 0.57
CPA1 P15085 2/20 0.57
ACE2 Q9BYF1 2/20 0.57
FOLH1 Q04609 1/20 0.55
NAALAD2 Q9Y3Q0 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
SCHEMBL9069196 0.90 MME (0.63) MMEACECPA1ACE2
SCHEMBL9069033 0.90 MME (0.63) MMEACECPA1ACE2
SCHEMBL7323041 0.86 MME (0.52) MMEACECPA1ACE2FOLH1
SCHEMBL7417464 0.84 MME (0.71) MMEACECPA1ACE2FOLH1
SCHEMBL7417457 0.84 MME (0.71) MMEACECPA1ACE2FOLH1
SCHEMBL6172437 0.84 MME (0.68) MMEACE
SCHEMBL6172440 0.84 MME (0.68) MMEACE
SCHEMBL7409095 0.83 ACE (0.53) MMEACECPA1ACE2FOLH1
SCHEMBL7407660 0.83 ACE (0.53) MMEACECPA1ACE2FOLH1
SCHEMBL7407664 0.83 ACE (0.53) MMEACECPA1ACE2FOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4474795-A ANALGESICS, MERCAPTO-ALKANOYL AMINO ACIDS E. R. SQUIBB & SONS, INC. (US) 1984-10-02 US disclosed
US-4474799-A Enkephalinase inhibitors E. R. SQUIBB & SONS, INC. (US) 1984-10-02 US disclosed
US-4401677-A Enkephalinase inhibitors E. R. SQUIBB & SONS, INC. (US) 1983-08-30 US disclosed
US-4339600-A ENZYME INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1982-07-13 US disclosed
US-4199512-A Compounds for alleviating hypertension E. R. SQUIBB & SONS, INC. (US) 1980-04-22 US disclosed
US-4173704-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1979-11-06 US disclosed
US-4140786-A ENZYME INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1979-02-20 US disclosed
US-4140797-A MERCAPTOACYL AMINO ACIDS, ENZYME INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1979-02-20 US disclosed
US-4112119-A MERCAPTOACYL AMINOACIDS E. R. SQUIBB & SONS, INC. (US) 1978-09-05 US disclosed
US-4053651-A MERCAPTOACYL AMINO ACIDS, ENZYME INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1977-10-11 US disclosed