SCHEMBL6165670

SCHEMBL6165670

CC(C)CC(CS)C(=O)N[C@@H](Cc1ccc(-c2nccs2)cc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MME P08473 6/20 0.56
ACE P12821 3/20 0.53
CPA1 P15085 3/20 0.53
ACE2 Q9BYF1 3/20 0.53
MMP2 P08253 1/20 0.48
MMP7 P09237 1/20 0.48
MMP9 P14780 1/20 0.48
MMP12 P39900 1/20 0.48
MMP13 P45452 1/20 0.48
ECE1 P42892 1/20 0.48
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
CTSS P25774 1/20 0.46
CTSK P43235 1/20 0.46

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
SCHEMBL6161590 0.89 MME (0.66) MME
SCHEMBL6161582 0.89 MME (0.66) MME
SCHEMBL3410335 0.89 MME (0.66) MME
SCHEMBL6574501 0.89 MME (0.66) MME
SCHEMBL7315829 0.89 MME (0.66) MME
SCHEMBL6162737 0.85 MME (0.53) MMEACECPA1ACE2
SCHEMBL6162747 0.85 MME (0.53) MMEACECPA1ACE2
SCHEMBL6161923 0.83 MME (0.51) MMEACECPA1ACE2
SCHEMBL6162707 0.83 MME (0.51) MMEACECPA1ACE2
SCHEMBL6161489 0.83 MME (0.56) MMEECE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5994539-A Mercapto acyl aminoacid derivatives endowed with dual ACE-NEP inhibitory activity, useful in the treatment of cardiovascular diseases ZAMBON GROUP S.P.A. (IT) 1999-11-30 US claimed
EP-0877740-B1 THIOL DERIVATIVES WITH METALLOPEPTIDASE INHIBITORY ACTIVITY ZAMBON SPA (IT) 2005-03-30 EP disclosed
US-5994539-A Mercapto acyl aminoacid derivatives endowed with dual ACE-NEP inhibitory activity, useful in the treatment of cardiovascular diseases ZAMBON GROUP S.P.A. (IT) 1999-11-30 US disclosed
US-5760241-A ANGIOTENSIN CONVERTING ENZYME AND ENKEPHALINASE INHIBITORS; CARDIOVASCULAR DISORDERS ZAMBON GROUP S.P.A. (IT) 1998-06-02 US disclosed