SCHEMBL7360505

SCHEMBL7360505

CCCCCCCC(CN1CCCCC1)NC(=O)C(CC(C)C)C(=O)NO

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 4/20 0.50
MMP3 P08254 9/20 0.39
MMP1 P03956 7/20 0.39
MMP9 P14780 4/20 0.39
MMP2 P08253 2/20 0.38
PLA2G10 O15496 2/20 0.37
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
BIRC2 Q13490 2/20 0.35
UGCG Q16739 2/20 0.35

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
SCHEMBL8507829 0.83 MMP8 (0.62) MMP8MMP3MMP1MMP9PLA2G10
SCHEMBL8507843 0.81 UGCG (0.45) MMP8MMP3MMP1MMP2UGCG
SCHEMBL8509536 0.80 MMP8 (0.47) MMP8MMP3MMP1MMP9MMP2
SCHEMBL8509043 0.76 UGCG (0.51) MMP8MMP3MMP1MMP9MMP2
SCHEMBL7923582 0.74 UGCG (0.55) PLA2G10ALDH1A1L3MBTL1UGCG
SCHEMBL13493025 0.74 UGCG (0.55) PLA2G10ALDH1A1L3MBTL1UGCG
SCHEMBL20382547 0.69 UGCG (0.43) PLA2G10ALDH1A1L3MBTL1UGCG
SCHEMBL7360512 0.67 L3MBTL1 (0.35) MMP8MMP3MMP1MMP9ALDH1A1
SCHEMBL20273119 0.67 PLA2G10 (0.50) MMP8MMP3MMP9PLA2G10BIRC2
SCHEMBL32681947 0.66 MMP8 (0.54) MMP8

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1009736-A1 MALONIC ACID BASED MATRIX METALLOPROTEINASE INHIBITORS Roche Diagnostics GmbH (DE) 2000-06-21 EP disclosed
EP-0911319-A1 Malonic acid based matrix metalloproteinase inhibitors Roche Diagnostics GmbH (DE) 1999-04-28 EP disclosed
WO-1999011608-A1 MALONIC ACID BASED MATRIX METALLOPROTEINASE INHIBITORS ROCHE DIAGNOSTICS GMBH (DE) 1999-03-11 WO disclosed