SCHEMBL6946597

SCHEMBL6946597

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.35
MMP14 P50281 1/20 0.35
MMP3 P08254 1/20 0.35
MMP9 P14780 1/20 0.35
MMP13 P45452 1/20 0.35
ALDH1A1 P00352 4/20 0.34
HPGD P15428 1/20 0.34
PLA2G7 Q13093 1/20 0.33
KMT2A Q03164 2/20 0.33
ADAMTS4 O75173 2/20 0.33
MEN1 O00255 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
OPRM1 P35372 2/20 0.32
OPRK1 P41145 2/20 0.32
ACKR3 P25106 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
NPSR1 Q6W5P4 2/20 0.32
RXFP1 Q9HBX9 2/20 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
SCHEMBL6945478 0.91 MMP2 (0.42) MMP2MMP14MMP3MMP9MMP13
SCHEMBL6949501 0.90 MMP13 (0.33) MMP2MMP14MMP3MMP9MMP13
SCHEMBL7478276 0.82 MMP2 (0.37) MMP2MMP14MMP3MMP9MMP13
SCHEMBL6948808 0.79 MMP3 (0.38) MMP2MMP3MMP9MMP13PLA2G7
SCHEMBL6948787 0.77 PLA2G7 (0.53) MMP2MMP3MMP9MMP13ALDH1A1
SCHEMBL6950782 0.75 MMP2 (0.39) MMP2MMP3MMP9MMP13ALDH1A1
SCHEMBL6953868 0.74 MMP2 (0.32) MMP2MMP14MMP3MMP9MMP13
SCHEMBL6948481 0.73 PLA2G7 (0.39) MMP2MMP3MMP9MMP13ALDH1A1
SCHEMBL6946802 0.72 MMP2 (0.40) MMP2MMP3MMP9MMP13ALDH1A1
SCHEMBL6952582 0.71 MMP2 (0.38) MMP2MMP14MMP3MMP9MMP13

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 6 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
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