SCHEMBL7028022

SCHEMBL7028022

CC(C)CC(NC(=O)C(S)C(C)C)C(=O)NC(Cc1ccccc1)C(=O)O

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MME P08473 11/20 0.74
ACE P12821 11/20 0.74
CPA1 P15085 8/20 0.74
ACE2 Q9BYF1 8/20 0.74
MMP2 P08253 1/20 0.58
MMP7 P09237 1/20 0.58
MMP9 P14780 1/20 0.58
MMP12 P39900 1/20 0.58
MMP13 P45452 1/20 0.58

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
SCHEMBL7027395 1.00 MME (0.74) MMEACECPA1ACE2MMP2
SCHEMBL7027401 1.00 MME (0.74) MMEACECPA1ACE2MMP2
SCHEMBL6412463 0.90 MMP1 (0.64) MMEACECPA1ACE2MMP2
SCHEMBL7365144 0.90 ACE (0.73) MMEACECPA1ACE2MMP2
SCHEMBL8005905 0.88 MME (0.87) MMEACECPA1ACE2MMP2
SCHEMBL15649671 0.87 MME (0.67) MMEACECPA1ACE2MMP2
SCHEMBL15692372 0.87 MME (0.67) MMEACECPA1ACE2MMP2
SCHEMBL8387156 0.86 MME (0.74) MMEACECPA1ACE2MMP2
SCHEMBL7423453 0.86 MME (0.70) MMEACECPA1ACE2MMP2
SCHEMBL7031374 0.86 ACE (0.73) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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