SCHEMBL7339459

SCHEMBL7339459

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.54
TAS2R14 Q9NYV8 1/20 0.52
MMP3 P08254 9/20 0.49
ALDH1A1 P00352 3/20 0.48
MMP2 P08253 2/20 0.47
MMP13 P45452 2/20 0.47
MMP14 P50281 2/20 0.47
MMP1 P03956 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
ADAM17 P78536 1/20 0.47
ADAMTS4 O75173 1/20 0.46
ADAMTS5 Q9UNA0 1/20 0.46
HPGD P15428 1/20 0.43
ESR1 P03372 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41

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
SCHEMBL7342014 0.87 ALDH1A1 (0.64) TAS2R14MMP3ALDH1A1MMP2MMP13
SCHEMBL25256642 0.86 TAS2R14 (0.55) TAS2R14MMP3ALDH1A1MMP2MMP13
SCHEMBL7345745 0.81 MMP3 (0.73) TAS2R14MMP3ALDH1A1MMP2MMP13
SCHEMBL6501728 0.80 KMT2A (0.59) KMT2AALDH1A1HPGDESR1CA12
SCHEMBL6800554 0.79 RORC (0.49) TAS2R14MMP3ALDH1A1RORC
SCHEMBL26770100 0.78 MMP3 (0.76) TAS2R14MMP3MMP2MMP13MMP14
SCHEMBL7261619 0.77 ALDH1A1 (0.45) TAS2R14MMP3ALDH1A1MMP2MMP13
SCHEMBL5190476 0.73 TAS2R14 (0.63) TAS2R14MMP3MMP2MMP13MMP14
SCHEMBL16894124 0.72 MMP1 (0.62) KMT2ATAS2R14ALDH1A1MMP13MMP1
SCHEMBL27709189 0.71 MAPK1 (0.56) KMT2AALDH1A1ESR1CA12CA2

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