SCHEMBL7220742

SCHEMBL7220742

COC(=O)[C@@H]1CCN(S(=O)(=O)c2ccc(OC)cc2)[C@@H](C(=O)NOCc2ccccc2)C1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 17/20 0.69
ADAM17 P78536 5/20 0.69
MMP3 P08254 11/20 0.55
MMP9 P14780 8/20 0.55
MMP7 P09237 8/20 0.55
MMP2 P08253 5/20 0.55
MMP8 P22894 2/20 0.55
MMP13 P45452 7/20 0.54
PKM P14618 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
HCRTR1 O43613 1/20 0.49
HCRTR2 O43614 1/20 0.49

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
SCHEMBL7214256 0.94 MMP1 (0.60) MMP1ADAM17MMP3MMP9MMP7
SCHEMBL7220828 0.85 MMP1 (0.55) MMP1ADAM17MMP3MMP9MMP7
SCHEMBL7220826 0.85 MMP1 (0.55) MMP1ADAM17MMP3MMP9MMP7
SCHEMBL7216567 0.82 MMP1 (0.80) MMP1ADAM17MMP3MMP9MMP7
SCHEMBL7058353 0.81 MMP1 (0.69) MMP1ADAM17MMP3MMP9MMP7
SCHEMBL5539183 0.80 MMP1 (0.50) MMP1ADAM17MMP3MMP9MMP7
SCHEMBL7221238 0.79 ADAM17 (0.57) MMP1ADAM17MMP3MMP2MMP8
SCHEMBL7245645 0.77 MMP1 (0.51) MMP1ADAM17MMP3MMP9MMP7
SCHEMBL7221169 0.77 MMP1 (0.74) MMP1ADAM17MMP3MMP9MMP7
SCHEMBL7428159 0.76 MMP1 (0.80) MMP1MMP3MMP9MMP7MMP2

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
US-6599890-B1 Inhibitors of matrix metalloproteinases or the production of tumor necrosis factor PFIZER INC 2003-07-29 US disclosed
EP-0960098-A1 ARYLSULFONYL HYDROXAMIC ACID DERIVATIVES PFIZER INC. (US) 1999-12-01 EP disclosed
WO-1998034918-A1 ARYLSULFONYL HYDROXAMIC ACID DERIVATIVES PFIZER INC. (US) 1998-08-13 WO disclosed