SCHEMBL7342014

SCHEMBL7342014

CCOC(=O)CN(CC(C)C)S(=O)(=O)c1ccc(OC)cc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.64
MMP3 P08254 6/20 0.53
MMP13 P45452 3/20 0.53
MMP1 P03956 2/20 0.53
MMP7 P09237 2/20 0.53
MMP8 P22894 2/20 0.53
MMP12 P39900 2/20 0.53
TAS2R14 Q9NYV8 3/20 0.50
KEAP1 Q14145 3/20 0.49
NFE2L2 Q16236 2/20 0.49
ADAMTS4 O75173 1/20 0.47
MMP2 P08253 1/20 0.47
MMP14 P50281 1/20 0.47
ADAMTS5 Q9UNA0 1/20 0.47
MEP1B Q16820 1/20 0.47
MAPK1 P28482 1/20 0.47
BMP1 P13497 1/20 0.46

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
SCHEMBL7339459 0.87 KMT2A (0.54) ALDH1A1MMP3MMP13MMP1MMP8
SCHEMBL7350174 0.85 ALDH1A1 (0.81) ALDH1A1MMP3TAS2R14KEAP1MEP1B
SCHEMBL7345745 0.83 MMP3 (0.73) ALDH1A1MMP3MMP13MMP1MMP8
SCHEMBL7000836 0.82 BMP1 (0.69) ALDH1A1MMP3MMP13MMP1MMP7
SCHEMBL22252122 0.82 KEAP1 (0.73) ALDH1A1MMP3MMP13MMP1MMP8
SCHEMBL5093686 0.81 ALDH1A1 (0.72) ALDH1A1TAS2R14KEAP1MEP1BBMP1
SCHEMBL20574215 0.81 MMP3 (0.55) MMP3MMP13MMP1MMP7MMP8
SCHEMBL598146 0.81 MMP3 (0.79) MMP3MMP13MMP1MMP7MMP8
SCHEMBL8008261 0.80 ALDH1A1 (0.73) ALDH1A1TAS2R14MEP1BBMP1
SCHEMBL7093324 0.80 TP53 (0.65) ALDH1A1MMP3TAS2R14KEAP1BMP1

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-0606046-B1 Arylsulfonamido-substituted hydroxamic acids CIBA GEIGY AG (CH) 1997-10-08 EP disclosed
US-5646167-A ADMINISTERED AS METALLOPROTEINASE INHIBITOR, ANTITUMOR OR ANTICARCINOGENIC AGENT CIBA-GEIGY CORPORATION (US) 1997-07-08 US disclosed
US-5552419-A METALLOPROTEINASE INHIBITORS CIBA-GEIGY CORPORATION (US) 1996-09-03 US disclosed
US-5506242-A METALLOELASTASE INHIBITOR; TREATS EMPHYSEMA CIBA-GEIGY CORPORATION (US) 1996-04-09 US disclosed
US-5455258-A Useful as inhibitors of matrix-degrading metalloproteinase enzymes such as stromelysin and/or collegenase CIBA-GEIGY CORPORATION (US) 1995-10-03 US disclosed
EP-0606046-A1 Arylsulfonamido-substituted hydroxamic acids CIBA-GEIGY AG (CH) 1994-07-13 EP disclosed