SCHEMBL6584985

SCHEMBL6584985

COc1cc(C2=CCN(S(=O)(=O)C(C)(C)C(=O)O)CC2)ccc1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 10/20 0.51
MMP3 P08254 10/20 0.51
QDPR P09417 2/20 0.46
POLB P06746 1/20 0.44
ALOX15 P16050 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 1/20 0.43
PKM P14618 1/20 0.43
HSD11B1 P28845 1/20 0.43
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL6587154 0.92 MMP2 (0.52) MMP2MMP3QDPRPOLBALOX15
SCHEMBL6586274 0.91 MMP2 (0.55) MMP2MMP3QDPRPOLBALOX15
SCHEMBL6587473 0.85 MMP2 (0.58) MMP2MMP3L3MBTL1ALDH1A1PKM
SCHEMBL6586229 0.83 MMP2 (0.59) MMP2MMP3QDPRHSD11B1
SCHEMBL6587364 0.82 MMP2 (0.63) MMP2MMP3QDPRL3MBTL1ALDH1A1
SCHEMBL6586371 0.81 MMP3 (0.77) MMP2MMP3QDPRL3MBTL1KDM4E
SCHEMBL6584515 0.80 MMP2 (0.59) MMP2MMP3QDPR
SCHEMBL6584020 0.76 MMP2 (0.72) MMP2MMP3
SCHEMBL6585837 0.76 MMP2 (0.50) MMP2MMP3QDPRL3MBTL1ALDH1A1
SCHEMBL6586466 0.74 MMP2 (0.51) MMP2MMP3L3MBTL1HSD11B1

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