SCHEMBL6586758

SCHEMBL6586758

O=C(NO)C1(S(=O)(=O)N2CC=C(c3ccc(-c4ccccc4)cc3)CC2)CCOCC1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 17/20 0.57
MMP3 P08254 10/20 0.57
MMP9 P14780 10/20 0.53
MMP13 P45452 9/20 0.53
MMP1 P03956 3/20 0.53
MMP14 P50281 3/20 0.53
MMP8 P22894 2/20 0.53
ADAM10 O14672 2/20 0.51
MMP10 P09238 1/20 0.47
MMP12 P39900 1/20 0.47
ALDH1A1 P00352 1/20 0.45
PKM P14618 1/20 0.45

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
SCHEMBL6584500 0.89 MMP2 (0.53) MMP2MMP3MMP9MMP13MMP1
SCHEMBL6584009 0.89 MMP2 (0.64) MMP2MMP3MMP9MMP13MMP1
SCHEMBL6585027 0.86 MMP2 (0.51) MMP2MMP3MMP9MMP13MMP1
SCHEMBL6585833 0.85 MMP2 (0.60) MMP2MMP3MMP9MMP1MMP14
SCHEMBL6586040 0.80 MMP2 (0.68) MMP2MMP3MMP9MMP13MMP1
SCHEMBL6584742 0.80 MMP2 (0.68) MMP2MMP3MMP9MMP1ADAM10
SCHEMBL6588157 0.78 MMP2 (0.70) MMP2MMP3MMP9MMP13MMP1
SCHEMBL6583989 0.78 MMP2 (0.60) MMP2MMP3MMP14ALDH1A1PKM
SCHEMBL6586997 0.77 MMP2 (0.59) MMP2MMP3MMP9MMP1ADAM10
SCHEMBL6586008 0.77 MMP2 (0.58) MMP2MMP3MMP9MMP13MMP1

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