SCHEMBL6584555

SCHEMBL6584555

COc1cccc(-c2ccc(C3=CCN(S(=O)(=O)C4(C(=O)O)CCOCC4)CC3)cc2C)c1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 13/20 0.63
MMP3 P08254 11/20 0.63
MMP9 P14780 2/20 0.39
MMP13 P45452 1/20 0.39
MMP14 P50281 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 1/20 0.39
ALOX15 P16050 1/20 0.39
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
ADAM10 O14672 1/20 0.38
EPHX1 P07099 1/20 0.36
HSD11B1 P28845 1/20 0.36
LIMK1 P53667 1/20 0.36
LIMK2 P53671 1/20 0.36

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 0.93 MMP2 (0.65) MMP2MMP3MMP9MMP13MMP14
SCHEMBL6588431 0.91 MMP2 (0.66) MMP2MMP3MMP9L3MBTL1GAA
SCHEMBL6586040 0.91 MMP2 (0.68) MMP2MMP3MMP9MMP13MMP14
SCHEMBL6583989 0.90 MMP2 (0.60) MMP2MMP3MMP14L3MBTL1POLB
SCHEMBL6582426 0.85 MMP2 (0.66) MMP2MMP3MMP9MMP14ADAM10
SCHEMBL6586997 0.85 MMP2 (0.59) MMP2MMP3MMP9L3MBTL1POLB
SCHEMBL6584396 0.84 MMP2 (0.54) MMP2MMP3GAAADAM10EPHX1
SCHEMBL6588157 0.83 MMP2 (0.70) MMP2MMP3MMP9MMP13MMP14
SCHEMBL6586078 0.82 MMP2 (0.64) MMP2MMP3MMP14L3MBTL1HSD11B1
SCHEMBL6584009 0.81 MMP2 (0.64) MMP2MMP3MMP9MMP13MMP14

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