SCHEMBL7315209

SCHEMBL7315209

CC(C)C(CS)C(=O)N(c1ccc(-c2ccccc2)cc1)[C@@H](C)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.40
MME P08473 9/20 0.39
ACE P12821 3/20 0.38
CPA1 P15085 2/20 0.38
ACE2 Q9BYF1 2/20 0.38
ADAMTS4 O75173 1/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
MMP12 P39900 1/20 0.37
MMP13 P45452 1/20 0.37
MMP14 P50281 1/20 0.37
MMP16 P51512 1/20 0.37
CYP1A2 P05177 1/20 0.37
GAA P10253 1/20 0.37
CYP2C9 P11712 1/20 0.37
PKM P14618 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL7333784 0.81 CPA3 (0.52) MMEACE
SCHEMBL7313773 0.81 CPA3 (0.52) MMEACE
SCHEMBL7315467 0.81 CPA3 (0.52) MMEACE
SCHEMBL7323948 0.81 CPA3 (0.52) MMEACE
SCHEMBL7338879 0.77 MME (0.50) MMEACECPA1ACE2
SCHEMBL7310028 0.77 MME (0.50) MMEACECPA1ACE2
SCHEMBL7322272 0.75 MEN1 (0.36) MME
SCHEMBL8638343 0.74 TSHR (0.39) ACEMMP2MMP3
SCHEMBL7315216 0.74 ECE1 (0.49) ADAMTS4
Hydrochloric Acid SCHEMBL7854941 0.73 ECE1 (0.48) ADAMTS4

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-0805817-B1 THIOL DERIVATIVES WITH METALLOPEPTIDASE INHIBITORY ACTIVITY ZAMBON SPA (IT) 2001-08-16 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