SCHEMBL6587437

SCHEMBL6587437

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

nearest known ligand 0.83

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 9/20 0.83
MMP3 P08254 9/20 0.83
MMP1 P03956 2/20 0.72
MMP9 P14780 2/20 0.72
MMP14 P50281 2/20 0.72
USP5 P45974 1/20 0.38
FFAR1 O14842 1/20 0.38
MAP3K7 O43318 1/20 0.38
TAB1 Q15750 1/20 0.38
POLQ O75417 1/20 0.37
PKM P14618 1/20 0.37
HRH3 Q9Y5N1 2/20 0.37
BCL9 O00512 1/20 0.37
CTNNB1 P35222 1/20 0.37
HTR7 P34969 1/20 0.37

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
SCHEMBL6586333 0.92 MMP2 (0.85) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6586804 0.91 MMP3 (1.00) MMP2MMP3MMP1MMP9MMP14
SCHEMBL7408826 0.91 MMP2 (0.82) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6590355 0.88 MMP2 (0.66) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6436523 0.87 MMP2 (0.68) MMP2MMP3MMP1MMP9MMP14
SCHEMBL7538112 0.87 MMP2 (0.68) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6973339 0.86 MMP2 (0.70) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6434351 0.85 MMP2 (0.84) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6437562 0.84 MMP2 (0.84) MMP2MMP3MMP1MMP9MMP14
Hydrochloric Acid SCHEMBL6437234 0.84 MMP2 (0.82) 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