SCHEMBL7028034

SCHEMBL7028034

CCCC(S)C(=O)N[C@@H](CCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MME P08473 13/20 0.72
ACE P12821 13/20 0.72
CPA1 P15085 10/20 0.72
ACE2 Q9BYF1 10/20 0.72
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC8 Q9BY41 1/20 0.52

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
SCHEMBL7032149 0.87 MME (0.61) MMEACECPA1ACE2
SCHEMBL7032146 0.87 MME (0.61) MMEACECPA1ACE2
SCHEMBL7032097 0.87 MME (0.71) MMEACECPA1ACE2
SCHEMBL7032093 0.87 MME (0.71) MMEACECPA1ACE2
SCHEMBL7029129 0.86 MME (0.64) MMEACECPA1ACE2
SCHEMBL7029115 0.86 MME (0.64) MMEACECPA1ACE2
SCHEMBL7382794 0.84 ACE (0.74) MMEACECPA1ACE2
SCHEMBL7031374 0.84 ACE (0.73) MMEACECPA1ACE2
SCHEMBL7031031 0.83 MME (0.63) MMEACECPA1ACE2HDAC3
SCHEMBL23643094 0.80 ACE (0.60) 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 4 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
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