SCHEMBL6948796

SCHEMBL6948796

CN1C(=O)N(CCCC(C(=O)O)C(CCCc2ccccc2)S(N)(=O)=O)C(=O)C1(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 2/20 0.39
MMP2 P08253 3/20 0.38
MMP3 P08254 2/20 0.38
MMP9 P14780 2/20 0.38
MMP13 P45452 1/20 0.38
GRIK1 P39086 1/20 0.35
GSK3A P49840 2/20 0.34
GSK3B P49841 2/20 0.34
FAAH O00519 1/20 0.33
MGLL Q99685 1/20 0.33
LMNA P02545 1/20 0.33
MMP1 P03956 2/20 0.33
MMP8 P22894 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ALDH2 P05091 1/20 0.33
PKM P14618 1/20 0.33
ALDH3A1 P30838 1/20 0.33
ATM Q13315 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL7424880 0.80 POLB (0.39) PLA2G7MMP2MMP3MMP9MMP13
SCHEMBL6948795 0.74 KMT2A (0.40) PLA2G7MMP2MMP3MMP9MMP13
SCHEMBL6952001 0.74 MMP13 (0.44) MMP2MMP3MMP9MMP13MMP1
SCHEMBL6948808 0.73 MMP3 (0.38) PLA2G7MMP2MMP3MMP9MMP13
SCHEMBL7424874 0.72 ALDH1A1 (0.41) PLA2G7MMP2MMP3MMP9MMP13
SCHEMBL6947014 0.71 MMP2 (0.49) PLA2G7MMP2MMP3MMP9MMP13
SCHEMBL6952757 0.68 MMP3 (0.48) PLA2G7MMP2MMP3MMP9MMP13
SCHEMBL6952582 0.67 MMP2 (0.38) PLA2G7MMP2MMP3MMP9MMP13
SCHEMBL7028144 0.67 MMP2 (0.44) PLA2G7MMP2MMP3MMP9MMP13
SCHEMBL28014450 0.66 GRIK1 (0.57) GRIK1TDP1

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