SCHEMBL7427072

SCHEMBL7427072

CCCO[C@H]1CC[C@H]([C@H](C(=O)OCc2ccccc2)N(Cc2ccncc2)S(=O)(=O)c2ccc(OC)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 5/20 0.51
MMP8 P22894 3/20 0.51
MMP9 P14780 8/20 0.46
MMP2 P08253 5/20 0.46
MMP1 P03956 4/20 0.46
MMP3 P08254 2/20 0.46
MMP7 P09237 2/20 0.46
TAS2R14 Q9NYV8 2/20 0.42
KCNA5 P22460 1/20 0.41
BMP1 P13497 2/20 0.40
KEAP1 Q14145 2/20 0.40
CXCR3 P49682 2/20 0.40
NFE2L2 Q16236 1/20 0.40
PTGES O14684 1/20 0.40
TAS2R8 Q9NYW2 1/20 0.40
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL7427066 1.00 MMP13 (0.51) MMP13MMP8MMP9MMP2MMP1
Hydrochloric Acid SCHEMBL7425587 0.88 MMP8 (0.54) MMP13MMP8MMP9MMP2MMP1
SCHEMBL6852350 0.85 BMP1 (0.49) MMP13MMP8MMP9MMP2BMP1
SCHEMBL6056891 0.85 BMP1 (0.49) MMP13MMP8MMP9MMP2BMP1
SCHEMBL6056888 0.85 BMP1 (0.49) MMP13MMP8MMP9MMP2BMP1
Hydrochloric Acid SCHEMBL7478395 0.85 BMP1 (0.48) MMP13MMP8MMP9MMP2BMP1
Hydrochloric Acid SCHEMBL7478391 0.85 BMP1 (0.48) MMP13MMP8MMP9MMP2BMP1
SCHEMBL7350974 0.83 TAS2R14 (0.48) MMP13MMP8MMP9MMP2MMP1
SCHEMBL7423911 0.82 MMP8 (0.44) MMP13MMP8MMP9MMP2MMP1
SCHEMBL7423905 0.82 MMP8 (0.44) MMP13MMP8MMP9MMP2MMP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0873312-B1 ALPHA-SUBSTITUTED ARYLSULPHONAMIDO HYDROXAMIC ACIDS AS TNF-ALPHA AND MATRIX METALLOPROTEINASE INHIBITORS NOVARTIS AG (CH) 2002-06-12 EP disclosed
EP-0873312-A1 ALPHA-SUBSTITUTED ARYLSULPHONAMIDO HYDROXAMIC ACIDS AS TNF-ALPHA AND MATRIX METALLOPROTEINASE INHIBITORS Novartis AG (CH) 1998-10-28 EP disclosed
WO-1997022587-A1 ALPHA-SUBSTITUTED ARYLSULPHONAMIDO HYDROXAMIC ACIDS AS TNF-ALPHA AND MATRIX METALLOPROTEINASE INHIBITORS NOVARTIS AG (CH) 1997-06-26 WO disclosed