SCHEMBL6586333

SCHEMBL6586333

COCCOc1cccc(-c2ccc(C3CCN(S(=O)(=O)C(C)(C)C(=O)OC)CC3)cc2C)c1

nearest known ligand 0.85

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 10/20 0.85
MMP3 P08254 10/20 0.85
MMP1 P03956 2/20 0.74
MMP9 P14780 2/20 0.74
MMP14 P50281 2/20 0.74
USP5 P45974 1/20 0.38
FFAR1 O14842 1/20 0.37
POLQ O75417 1/20 0.37
PKM P14618 1/20 0.37
HTR7 P34969 1/20 0.36
MAP3K7 O43318 1/20 0.36
TAB1 Q15750 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL6434351 0.93 MMP2 (0.84) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6587437 0.92 MMP2 (0.83) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6437562 0.92 MMP2 (0.84) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6586804 0.92 MMP3 (1.00) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6587846 0.92 MMP2 (0.83) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6436990 0.89 MMP3 (0.69) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6433148 0.88 MMP2 (0.69) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6432618 0.88 MMP2 (0.67) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6585852 0.88 MMP3 (0.67) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6971949 0.87 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 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