SCHEMBL7032097

SCHEMBL7032097

CCCC(S)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MME P08473 11/20 0.71
ACE P12821 11/20 0.67
CPA1 P15085 8/20 0.67
ACE2 Q9BYF1 8/20 0.67
MMP2 P08253 1/20 0.55
MMP7 P09237 1/20 0.55
MMP9 P14780 1/20 0.55
MMP12 P39900 1/20 0.55
MMP13 P45452 1/20 0.55

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
SCHEMBL7032093 1.00 MME (0.71) MMEACECPA1ACE2MMP2
SCHEMBL6418586 0.91 MME (0.61) MMEACECPA1ACE2MMP2
SCHEMBL7382794 0.91 ACE (0.74) MMEACECPA1ACE2
SCHEMBL8005905 0.90 MME (0.87) MMEACECPA1ACE2MMP2
SCHEMBL7365144 0.89 ACE (0.73) MMEACECPA1ACE2MMP2
SCHEMBL27484783 0.88 MME (0.74) MMEACECPA1ACE2MMP2
SCHEMBL27484784 0.88 MME (0.74) MMEACECPA1ACE2MMP2
SCHEMBL8387156 0.88 MME (0.74) MMEACECPA1ACE2MMP2
SCHEMBL7028034 0.87 MME (0.72) MMEACECPA1ACE2
SCHEMBL8387195 0.86 MME (0.65) MMEACECPA1ACE2

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
EP-0728144-B1 PEPTIDYL COMPOUNDS AND THEIR THERAPEUTIC USE AS INHIBITORS OF METALLOPROTEINASES DARWIN DISCOVERY LTD (GB) 2000-01-19 EP claimed
EP-1140984-B1 SELECTIVE INHIBITORS OF MMP-12 AVENTIS PHARMA INC (US) 2003-02-12 EP disclosed
US-6352976-B1 ENZYME INHIBITORS OF MATRIX METALLOPROTEINASE FOR EMPHYSEMA AVENTIS PHARMACEUTICALS INC. 2002-03-05 US disclosed
EP-1140984-A1 SELECTIVE INHIBITORS OF MMP-12 Aventis Pharmaceuticals Inc. (US) 2001-10-10 EP disclosed
WO-2000040600-A1 SELECTIVE INHIBITORS OF MMP-12 AVENTIS PHARMACEUTICALS INC. (US) 2000-07-13 WO disclosed