SCHEMBL6586655

SCHEMBL6586655

COC(=O)C(C)(C)S(=O)(=O)N1CCC(c2ccc(-c3ccc4c(c3)OC(C)(C)O4)c(C)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 8/20 0.52
MMP2 P08253 7/20 0.52
MMP1 P03956 2/20 0.51
MMP9 P14780 2/20 0.51
MMP14 P50281 2/20 0.51
SCN9A Q15858 1/20 0.33
KIF11 P52732 1/20 0.33
EPHX2 P34913 2/20 0.32
SCD5 Q86SK9 1/20 0.31
QDPR P09417 1/20 0.31
USP5 P45974 1/20 0.30
S1PR1 P21453 1/20 0.30

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
SCHEMBL6585173 0.90 MMP3 (0.50) MMP3MMP2MMP1MMP9MMP14
SCHEMBL6586307 0.90 MMP3 (0.62) MMP3MMP2MMP1MMP9MMP14
SCHEMBL6438199 0.81 MMP3 (0.62) MMP3MMP2MMP1MMP9MMP14
SCHEMBL6587603 0.80 MMP2 (0.48) MMP3MMP2SCN9A
SCHEMBL6432618 0.79 MMP2 (0.67) MMP3MMP2MMP1MMP9MMP14
SCHEMBL6584658 0.78 MMP2 (0.51) MMP3MMP2MMP1MMP9MMP14
SCHEMBL6587846 0.78 MMP2 (0.83) MMP3MMP2MMP1MMP9MMP14
SCHEMBL6437658 0.76 MMP2 (0.51) MMP3MMP2MMP1MMP9MMP14
SCHEMBL6586333 0.76 MMP2 (0.85) MMP3MMP2MMP1MMP9MMP14
SCHEMBL6436990 0.76 MMP3 (0.69) 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 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