SCHEMBL6583034

SCHEMBL6583034

COC(=O)C1(S(=O)(=O)N2CC=C(c3ccc(-c4ccccc4)cc3)CC2)Cc2ccccc2C1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 8/20 0.53
MMP3 P08254 8/20 0.53
ALDH1A1 P00352 1/20 0.46
PKM P14618 1/20 0.46
NAMPT P43490 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
MMP14 P50281 1/20 0.43
ADAMTS5 Q9UNA0 1/20 0.43
USP5 P45974 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HSD11B1 P28845 2/20 0.41
KMT2A Q03164 1/20 0.41
ADAM10 O14672 1/20 0.40
MMP1 P03956 1/20 0.40
MMP9 P14780 1/20 0.40

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
SCHEMBL7410970 0.91 MMP2 (0.43) MMP2MMP3ALDH1A1PKMNAMPT
SCHEMBL6586045 0.88 MMP2 (0.55) MMP2MMP3ALDH1A1PKMNAMPT
SCHEMBL6585833 0.86 MMP2 (0.60) MMP2MMP3ALDH1A1PKMNAMPT
SCHEMBL6585027 0.85 MMP2 (0.51) MMP2MMP3ALDH1A1PKML3MBTL1
SCHEMBL6590191 0.79 MMP2 (0.63) MMP2MMP3ALDH1A1PKML3MBTL1
SCHEMBL6586997 0.76 MMP2 (0.59) MMP2MMP3PKML3MBTL1KDM4E
SCHEMBL6590060 0.75 MMP3 (0.73) MMP2MMP3ALDH1A1PKML3MBTL1
SCHEMBL6584500 0.74 MMP2 (0.53) MMP2MMP3ALDH1A1PKML3MBTL1
SCHEMBL6586758 0.73 MMP2 (0.57) MMP2MMP3ALDH1A1PKMMMP14
SCHEMBL6586496 0.72 MMP2 (0.69) MMP2MMP3ALDH1A1PKML3MBTL1

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