SCHEMBL6584500

SCHEMBL6584500

O=C(O)C1(S(=O)(=O)N2CC=C(c3ccc(-c4ccccc4)cc3)CC2)CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 8/20 0.53
MMP3 P08254 8/20 0.53
ALDH1A1 P00352 1/20 0.49
PKM P14618 1/20 0.49
KDM4E B2RXH2 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MMP1 P03956 2/20 0.43
MMP9 P14780 2/20 0.43
ADAM10 O14672 1/20 0.43
HSD11B1 P28845 1/20 0.43
KMT2A Q03164 2/20 0.43
MMP14 P50281 2/20 0.42
ADAMTS5 Q9UNA0 1/20 0.42
USP5 P45974 1/20 0.42
POLB P06746 2/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.41
ALOX15 P16050 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
SCHEMBL6586758 0.89 MMP2 (0.57) MMP2MMP3ALDH1A1PKMMMP1
SCHEMBL6585027 0.88 MMP2 (0.51) MMP2MMP3ALDH1A1PKMKDM4E
SCHEMBL6583989 0.88 MMP2 (0.60) MMP2MMP3ALDH1A1PKML3MBTL1
SCHEMBL6586045 0.83 MMP2 (0.55) MMP2MMP3ALDH1A1PKMKDM4E
SCHEMBL6965353 0.83 MMP2 (0.46) MMP2MMP3ALDH1A1PKML3MBTL1
SCHEMBL6584555 0.80 MMP2 (0.63) MMP2MMP3KDM4EL3MBTL1MMP9
SCHEMBL6586997 0.79 MMP2 (0.59) MMP2MMP3PKMKDM4EL3MBTL1
SCHEMBL6584009 0.79 MMP2 (0.64) MMP2MMP3L3MBTL1MMP1MMP9
SCHEMBL6586078 0.78 MMP2 (0.64) MMP2MMP3ALDH1A1PKML3MBTL1
SCHEMBL6588431 0.78 MMP2 (0.66) MMP2MMP3L3MBTL1MMP1MMP9

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