SCHEMBL7409087

SCHEMBL7409087

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

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACE P12821 10/20 0.53
MME P08473 8/20 0.50
CPA1 P15085 1/20 0.50
ACE2 Q9BYF1 1/20 0.50
FOLH1 Q04609 1/20 0.48
NAALAD2 Q9Y3Q0 1/20 0.45

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
SCHEMBL7407664 1.00 ACE (0.53) ACEMMECPA1ACE2FOLH1
SCHEMBL7409095 1.00 ACE (0.53) ACEMMECPA1ACE2FOLH1
SCHEMBL7407660 1.00 ACE (0.53) ACEMMECPA1ACE2FOLH1
SCHEMBL7416436 0.91 MME (0.51) ACEMMECPA1ACE2
SCHEMBL7411740 0.88 ACE (0.46) ACEMMECPA1ACE2FOLH1
SCHEMBL7408563 0.88 ACE (0.46) ACEMMECPA1ACE2FOLH1
SCHEMBL7411742 0.88 ACE (0.46) ACEMMECPA1ACE2FOLH1
SCHEMBL7408569 0.88 ACE (0.46) ACEMMECPA1ACE2FOLH1
SCHEMBL7327684 0.83 MME (0.57) ACEMMECPA1ACE2FOLH1
SCHEMBL7418383 0.82 MME (0.63) ACEMMECPA1ACE2FOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5414013-A Enzyme inhibitors E. R. SQUIBB & SONS, INC. (US) 1995-05-09 US disclosed
US-5414017-A Cardiovascular agents E. R. SQUIBB & SONS, INC. (US) 1995-05-09 US disclosed
EP-0449523-B1 Mercapto- or acylthio-trifluoromethyl amide derivatives and their use SQUIBB & SONS INC (US) 1994-08-17 EP disclosed
US-5223516-A Endopeptidase inhibitors E. R. SQUIBB & SONS, INC. (US) 1993-06-29 US disclosed
EP-0449523-A1 Mercapto- or acylthio-trifluoromethyl amide derivatives and their use E.R. SQUIBB & SONS, INC. (US) 1991-10-02 EP disclosed