SCHEMBL6586040

SCHEMBL6586040

COc1cccc(-c2ccc(C3=CCN(S(=O)(=O)C4(C(=O)NO)CCOCC4)CC3)cc2C)c1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 20/20 0.68
MMP3 P08254 13/20 0.68
MMP13 P45452 6/20 0.48
MMP9 P14780 6/20 0.48
MMP14 P50281 2/20 0.48
ADAM10 O14672 4/20 0.41
MMP1 P03956 2/20 0.40
MMP8 P22894 2/20 0.39

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
SCHEMBL6584779 0.92 MMP2 (0.65) MMP2MMP3MMP13MMP9MMP14
SCHEMBL6588157 0.92 MMP2 (0.70) MMP2MMP3MMP13MMP9MMP14
SCHEMBL6584555 0.91 MMP2 (0.63) MMP2MMP3MMP13MMP9MMP14
SCHEMBL6584009 0.89 MMP2 (0.64) MMP2MMP3MMP13MMP9MMP14
SCHEMBL6586008 0.85 MMP2 (0.58) MMP2MMP3MMP13MMP9ADAM10
SCHEMBL6582426 0.85 MMP2 (0.66) MMP2MMP3MMP9MMP14ADAM10
SCHEMBL6588431 0.83 MMP2 (0.66) MMP2MMP3MMP9ADAM10MMP1
SCHEMBL6586997 0.83 MMP2 (0.59) MMP2MMP3MMP9ADAM10MMP1
SCHEMBL6584742 0.82 MMP2 (0.68) MMP2MMP3MMP9ADAM10MMP1
SCHEMBL6585463 0.81 MMP2 (0.53) MMP2MMP3MMP13MMP9MMP14

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