SCHEMBL7405264

SCHEMBL7405264

CC(=O)SCC(C(=O)NC(Cc1occ2ccccc12)C(=O)O)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACE P12821 8/20 0.39
MME P08473 6/20 0.39
CPA1 P15085 4/20 0.39
ACE2 Q9BYF1 4/20 0.39
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
MMP1 P03956 1/20 0.35
MMP3 P08254 1/20 0.35
FCER2 P06734 1/20 0.34

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
SCHEMBL7408172 0.85 HRH4 (0.45) ACEMMECPA1ACE2MEN1
SCHEMBL7419934 0.84 MME (0.53) ACEMMECPA1ACE2MEN1
SCHEMBL7416436 0.81 MME (0.51) ACEMMECPA1ACE2MMP1
SCHEMBL7405258 0.78 PIN1 (0.53) ACEMMECPA1ACE2MEN1
SCHEMBL7405261 0.78 PIN1 (0.53) ACEMMECPA1ACE2MEN1
SCHEMBL7410932 0.77 ACE (0.61) ACE
SCHEMBL7407660 0.75 ACE (0.53) ACEMMECPA1ACE2
SCHEMBL7409095 0.75 ACE (0.53) ACEMMECPA1ACE2
SCHEMBL7407664 0.75 ACE (0.53) ACEMMECPA1ACE2
SCHEMBL7409087 0.75 ACE (0.53) ACEMMECPA1ACE2

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