SCHEMBL7028784

SCHEMBL7028784

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

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MME P08473 4/20 0.54
MMP2 P08253 1/20 0.52
MMP7 P09237 1/20 0.52
MMP9 P14780 1/20 0.52
MMP12 P39900 1/20 0.52
MMP13 P45452 1/20 0.52
ACE P12821 4/20 0.51
CPA1 P15085 2/20 0.51
ACE2 Q9BYF1 2/20 0.51
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
LTA4H P09960 1/20 0.49
MMP8 P22894 1/20 0.48

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
SCHEMBL7028765 1.00 MME (0.54) MMEMMP2MMP7MMP9MMP12
SCHEMBL7026577 0.85 LTA4H (0.53) MMEHDAC3HDAC4HDAC1HDAC2
SCHEMBL7026556 0.85 LTA4H (0.53) MMEHDAC3HDAC4HDAC1HDAC2
SCHEMBL7032498 0.84 GNPAT (0.52) MMEACECPA1ACE2HDAC3
SCHEMBL7032476 0.84 GNPAT (0.52) MMEACECPA1ACE2HDAC3
SCHEMBL7032093 0.83 MME (0.71) MMEMMP2MMP7MMP9MMP12
SCHEMBL7032097 0.83 MME (0.71) MMEMMP2MMP7MMP9MMP12
SCHEMBL7030781 0.83 MME (0.57) MMEMMP2MMP7MMP9MMP12
SCHEMBL30777486 0.82 MME (0.65) MMEMMP2MMP7MMP9MMP12
SCHEMBL15692334 0.82 MME (0.65) MMEMMP2MMP7MMP9MMP12

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