SCHEMBL7027792

SCHEMBL7027792

CCCC(SCc1ccc(OC)cc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 7/20 0.47
MMP1 P03956 6/20 0.47
MMP9 P14780 4/20 0.47
ACE P12821 1/20 0.45
ITGA4 P13612 1/20 0.44
ITGB7 P26010 1/20 0.44
KMT2A Q03164 1/20 0.43
MMP12 P39900 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
MMP2 P08253 1/20 0.42
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL7034263 0.86 L3MBTL1 (0.50) MMP3MMP1MMP9ACEKMT2A
SCHEMBL7032170 0.85 ACE (0.50) MMP3MMP1MMP9ACEKMT2A
SCHEMBL7162745 0.76 L3MBTL1 (0.51) ACEKMT2AALDH1A1L3MBTL1
SCHEMBL27041646 0.75 CTSK (0.60) MMP3MMP1MMP9ACECTSS
SCHEMBL27041650 0.75 CTSK (0.60) MMP3MMP1MMP9ACECTSS
SCHEMBL7101476 0.73 L3MBTL1 (0.55) MMP3MMP1MMP9ACEKMT2A
SCHEMBL25320494 0.73 HDAC8 (0.58) ITGA4ITGB7CTSSCTSKALDH1A1
SCHEMBL28577595 0.72 CTSS (0.60) MMP3MMP1MMP9ACECTSS
SCHEMBL25054064 0.72 CTSS (0.60) MMP3MMP1MMP9ACECTSS
SCHEMBL22962029 0.72 CTSS (0.59) MMP3MMP1MMP9ACEKMT2A

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