SCHEMBL6587030

SCHEMBL6587030

CCOc1cncc(-c2ccc(C3CCN(S(=O)(=O)C(C)(C)C(=O)O)CC3)cc2C)c1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 8/20 0.65
MMP3 P08254 8/20 0.65
MMP1 P03956 2/20 0.55
MMP9 P14780 2/20 0.55
MMP14 P50281 2/20 0.55
CTPS1 P17812 3/20 0.38
CHRNB1 P11230 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNB3 Q05901 1/20 0.37
PTGS2 P35354 3/20 0.36
RIPK2 O43353 1/20 0.36
PKM P14618 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL6590101 0.92 MMP2 (0.65) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6587767 0.91 MMP2 (0.79) MMP2MMP3MMP1MMP9MMP14
SCHEMBL7408826 0.88 MMP2 (0.82) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6587846 0.79 MMP2 (0.83) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6588355 0.79 MMP2 (0.70) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6585076 0.79 MMP3 (1.00) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6587437 0.79 MMP2 (0.83) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6588416 0.78 MMP2 (0.68) MMP2MMP3MMP1MMP9MMP14
Dimethylamine SCHEMBL6437006 0.78 MMP2 (0.80) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6436523 0.77 MMP2 (0.68) MMP2MMP3MMP1MMP9MMP14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1036062-B1 HYDROXAMIC ACID DERIVATIVES AS MATRIX METALLOPROTEASE (MMP) INHIBITORS PFIZER LTD (GB) 2004-01-02 EP disclosed
US-6495568-B1 TREATMENT OF TISSUE ULCERATION, WOUND REPAIR AND SKIN DISEASES WARNER-LAMBERT COMPANY 2002-12-17 US disclosed
EP-1036062-A1 HYDROXAMIC ACID DERIVATIVES AS MATRIX METALLOPROTEASE (MMP) INHIBITORS Pfizer Limited (GB) 2000-09-20 EP disclosed
WO-1999029667-A1 HYDROXAMIC ACID DERIVATIVES AS MATRIX METALLOPROTEASE (MMP) INHIBITORS PFIZER LIMITED (GB) 1999-06-17 WO disclosed