SCHEMBL7031374

SCHEMBL7031374

CC(C)[C@H](S)C(=O)NC(CCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACE P12821 15/20 0.73
MME P08473 13/20 0.73
CPA1 P15085 12/20 0.73
ACE2 Q9BYF1 12/20 0.73

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
SCHEMBL7029386 0.87 MME (0.68) ACEMMECPA1ACE2
SCHEMBL7031211 0.87 MME (0.68) ACEMMECPA1ACE2
SCHEMBL7029391 0.87 MME (0.68) ACEMMECPA1ACE2
SCHEMBL7028022 0.86 MME (0.74) ACEMMECPA1ACE2
SCHEMBL7027395 0.86 MME (0.74) ACEMMECPA1ACE2
SCHEMBL7027401 0.86 MME (0.74) ACEMMECPA1ACE2
SCHEMBL7029885 0.86 MME (0.67) ACEMMECPA1ACE2
SCHEMBL7026712 0.86 MME (0.67) ACEMMECPA1ACE2
SCHEMBL7026704 0.86 MME (0.67) ACEMMECPA1ACE2
SCHEMBL7028034 0.84 MME (0.72) ACEMMECPA1ACE2

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 1 patent. 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 claimed