SCHEMBL8637613

SCHEMBL8637613

CC(C)C[C@H](NC(CCc1ccccc1)C(=O)O)C(=O)N(c1ccc(-c2ccccc2)cc1)[C@@H](C)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MME P08473 4/20 0.55
MMP3 P08254 4/20 0.43
MMP1 P03956 3/20 0.43
MMP9 P14780 3/20 0.43
ACE P12821 4/20 0.43
GPR88 Q9GZN0 1/20 0.42
HPGD P15428 1/20 0.41
CPA1 P15085 2/20 0.40
ACE2 Q9BYF1 2/20 0.40

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
SCHEMBL8641870 0.93 MME (0.48) MMEMMP3MMP1MMP9
SCHEMBL8641863 0.92 MME (0.49) MMEMMP3MMP1MMP9ACE
SCHEMBL8756920 0.91 REN (0.47) MMEMMP3ACE
SCHEMBL8641283 0.90 MME (0.66) MMEMMP9ACEGPR88HPGD
SCHEMBL8642379 0.86 MME (0.44) MMEMMP3MMP1MMP9GPR88
SCHEMBL8637603 0.86 MMP9 (0.50) MMEMMP3MMP1MMP9
SCHEMBL8640416 0.86 MME (0.53) MMEACEHPGDCPA1ACE2
SCHEMBL8640345 0.86 MME (0.53) MMEACEHPGDCPA1ACE2
Hydrochloric Acid SCHEMBL8636625 0.84 MMP9 (0.46) MMEMMP3MMP1MMP9ACE
SCHEMBL8640412 0.84 REN (0.46) MMEACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0766694-B1 PEPTIDE DERIVATIVES WITH METALLOPEPTIDASE INHIBITORY ACTIVITY ZAMBON SPA (IT) 1998-08-05 EP claimed
EP-0766694-B1 PEPTIDE DERIVATIVES WITH METALLOPEPTIDASE INHIBITORY ACTIVITY ZAMBON SPA (IT) 1998-08-05 EP disclosed