SCHEMBL6948808

SCHEMBL6948808

CN1C(=O)N(CCCC(CS(=O)(=O)N(C)CCc2ccccc2)C(=O)O)C(=O)C1(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 4/20 0.38
MMP2 P08253 3/20 0.38
MMP9 P14780 2/20 0.38
MMP13 P45452 1/20 0.38
MMP1 P03956 2/20 0.38
MMP8 P22894 1/20 0.38
PLA2G7 Q13093 1/20 0.38
GRIK1 P39086 1/20 0.34
LIPE Q05469 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
CPB2 Q96IY4 2/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL6952757 0.91 MMP3 (0.48) MMP3MMP2MMP9MMP13MMP1
SCHEMBL6948787 0.86 PLA2G7 (0.53) MMP3MMP2MMP9MMP13MMP1
SCHEMBL6953868 0.83 MMP2 (0.32) MMP3MMP2MMP9MMP13MMP1
SCHEMBL6948481 0.82 PLA2G7 (0.39) MMP3MMP2MMP9MMP13MMP1
SCHEMBL6948795 0.81 KMT2A (0.40) MMP3MMP2MMP9MMP13MMP1
SCHEMBL6950782 0.80 MMP2 (0.39) MMP3MMP2MMP9MMP13MMP1
SCHEMBL6943312 0.80 PLA2G7 (0.43) MMP3MMP2MMP9MMP13MMP1
SCHEMBL7424874 0.80 ALDH1A1 (0.41) MMP3MMP2MMP9MMP13MMP1
SCHEMBL6946597 0.79 MMP2 (0.35) MMP3MMP2MMP9MMP13PLA2G7
SCHEMBL6945719 0.78 PLA2G7 (0.50) MMP3MMP2MMP9MMP13MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6187924-B1 INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TUMOR NECROSIS FACTOR-ALPHA-MEDIATED DISEASES DARWIN DISCOVERY, LTD. (GB) 2001-02-13 US claimed
EP-1030836-B1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES HAVING MMP AND TNF INHIBITORY ACTIVITY DARWIN DISCOVERY LTD (GB) 2003-01-29 EP disclosed
US-6187924-B1 INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TUMOR NECROSIS FACTOR-ALPHA-MEDIATED DISEASES DARWIN DISCOVERY, LTD. (GB) 2001-02-13 US disclosed
EP-1030836-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES HAVING MMP AND TNF INHIBITORY ACTIVITY Darwin Discovery Limited (GB) 2000-08-30 EP disclosed
WO-1999024399-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES HAVING MMP AND TNF INHIBITORY ACTIVITY DARWIN DISCOVERY LIMITED (GB) 1999-05-20 WO disclosed