SCHEMBL6586646

SCHEMBL6586646

COCCOc1cccc(-c2ccc(C3=CCN(S(=O)(=O)CC(=O)OC)CC3)cc2C)c1

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 18/20 0.71
MMP3 P08254 18/20 0.71
MMP1 P03956 1/20 0.42
MMP9 P14780 1/20 0.42
MMP14 P50281 1/20 0.42
CCNT1 O60563 1/20 0.39
CDK9 P50750 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL6587197 0.92 MMP3 (0.83) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6588532 0.91 MMP2 (0.84) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6586433 0.90 MMP2 (0.85) MMP2MMP3MMP9CCNT1CDK9
SCHEMBL6590166 0.86 MMP2 (0.84) MMP2MMP3CCNT1CDK9L3MBTL1
SCHEMBL6590027 0.86 MMP2 (0.61) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6586576 0.86 MMP2 (0.80) MMP2MMP3L3MBTL1
SCHEMBL6586635 0.85 MMP2 (0.85) MMP2MMP3CCNT1CDK9L3MBTL1
SCHEMBL6587634 0.84 MMP2 (0.82) MMP2MMP3MMP9CCNT1CDK9
SCHEMBL6590460 0.84 MMP2 (0.72) MMP2MMP3CCNT1CDK9L3MBTL1
SCHEMBL6587018 0.83 MMP2 (0.66) MMP2MMP3CCNT1CDK9L3MBTL1

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