SCHEMBL6949501

SCHEMBL6949501

CN1C(=O)N(CCCC(CS(=O)(=O)N(C)Cc2cc3ccccc3o2)C(=O)OC(C)(C)C)C(=O)C1(C)C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 2/20 0.33
MMP2 P08253 2/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
PLA2G7 Q13093 1/20 0.31
ALDH1A1 P00352 2/20 0.31
LMNA P02545 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
OPRM1 P35372 1/20 0.30
OPRK1 P41145 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL6946597 0.90 MMP2 (0.35) MMP13MMP2MMP3MMP9PLA2G7
SCHEMBL6945478 0.88 MMP2 (0.42) MMP13MMP2MMP3MMP9ALDH1A1
SCHEMBL7478276 0.79 MMP2 (0.37) MMP13MMP2MMP3MMP9ALDH1A1
SCHEMBL6945719 0.70 PLA2G7 (0.50) MMP13MMP2MMP3MMP9MAPT
SCHEMBL6948808 0.69 MMP3 (0.38) MMP13MMP2MMP3MMP9PLA2G7
SCHEMBL7221727 0.69 MMP2 (0.37) MMP13MMP2MMP3MMP9PLA2G7
SCHEMBL6948787 0.69 PLA2G7 (0.53) MMP13MMP2MMP3MMP9MAPT
SCHEMBL7078769 0.68 MMP2 (0.36) MMP13MMP2MMP3MMP9PLA2G7
SCHEMBL6952757 0.66 MMP3 (0.48) MMP13MMP2MMP3MMP9TSHR
SCHEMBL6943124 0.66 MMP2 (0.54) MMP13MMP2MMP3MMP9PLA2G7

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-1030836-B1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES HAVING MMP AND TNF INHIBITORY ACTIVITY DARWIN DISCOVERY LTD (GB) 2003-01-29 EP claimed
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-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES HAVING MMP AND TNF INHIBITORY ACTIVITY Darwin Discovery Limited (GB) 2000-08-30 EP claimed
WO-1999024399-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES HAVING MMP AND TNF INHIBITORY ACTIVITY DARWIN DISCOVERY LIMITED (GB) 1999-05-20 WO claimed