SCHEMBL6590876

SCHEMBL6590876

CCOc1cccc(-c2ccc(C3CCN(S(=O)(=O)CC(=O)OC)CC3)cc2C)c1

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 15/20 0.69
MMP2 P08253 13/20 0.69
MMP1 P03956 2/20 0.59
MMP9 P14780 2/20 0.59
MMP14 P50281 2/20 0.59
CHRM3 P20309 1/20 0.39
DHODH Q02127 1/20 0.39
PKM P14618 1/20 0.38

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
SCHEMBL6588468 0.92 MMP3 (0.58) MMP3MMP2MMP1MMP9MMP14
SCHEMBL6587821 0.90 MMP3 (0.73) MMP3MMP2MMP1MMP9MMP14
SCHEMBL6435682 0.89 MMP3 (0.59) MMP3MMP2MMP1MMP9MMP14
SCHEMBL6587846 0.84 MMP2 (0.83) MMP3MMP2MMP1MMP9MMP14
SCHEMBL7408826 0.82 MMP2 (0.82) MMP3MMP2MMP1MMP9MMP14
SCHEMBL6585076 0.82 MMP3 (1.00) MMP3MMP2MMP1MMP9MMP14
Dimethylamine SCHEMBL6437006 0.81 MMP2 (0.80) MMP3MMP2MMP1MMP9MMP14
Dimethylamine SCHEMBL6974207 0.80 MMP3 (0.97) MMP3MMP2MMP1MMP9MMP14
SCHEMBL6588532 0.80 MMP2 (0.84) MMP3MMP2MMP1MMP9MMP14
SCHEMBL6587889 0.78 MMP2 (0.65) MMP3MMP2MMP1MMP9MMP14

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 2 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