SCHEMBL6585833

SCHEMBL6585833

O=C(NO)C1(S(=O)(=O)N2CC=C(c3ccc(-c4ccccc4)cc3)CC2)Cc2ccccc2C1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 9/20 0.60
MMP3 P08254 9/20 0.60
ALDH1A1 P00352 1/20 0.47
PKM P14618 1/20 0.47
ADAM10 O14672 1/20 0.44
MMP1 P03956 1/20 0.44
MMP9 P14780 1/20 0.44
NAMPT P43490 1/20 0.43
USP5 P45974 1/20 0.43
KDM4E B2RXH2 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
HSD11B1 P28845 1/20 0.41
KMT2A Q03164 1/20 0.41
MMP14 P50281 1/20 0.41
ADAMTS5 Q9UNA0 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
SCHEMBL6586045 0.89 MMP2 (0.55) MMP2MMP3ALDH1A1PKMNAMPT
SCHEMBL6583034 0.86 MMP2 (0.53) MMP2MMP3ALDH1A1PKMADAM10
SCHEMBL6586758 0.85 MMP2 (0.57) MMP2MMP3ALDH1A1PKMADAM10
SCHEMBL6584742 0.78 MMP2 (0.68) MMP2MMP3ALDH1A1PKMADAM10
SCHEMBL7410970 0.77 MMP2 (0.43) MMP2MMP3ALDH1A1PKMADAM10
SCHEMBL6584009 0.75 MMP2 (0.64) MMP2MMP3ADAM10MMP1MMP9
SCHEMBL6584500 0.75 MMP2 (0.53) MMP2MMP3ALDH1A1PKMADAM10
SCHEMBL6587433 0.75 MMP3 (1.00) MMP2MMP3ALDH1A1PKMMMP1
SCHEMBL6585027 0.73 MMP2 (0.51) MMP2MMP3ALDH1A1PKMADAM10
SCHEMBL6586571 0.72 MMP3 (0.95) MMP2MMP3ALDH1A1PKMUSP5

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