SCHEMBL6587433

SCHEMBL6587433

O=C(CS(=O)(=O)N1CC=C(c2ccc(-c3ccccc3)cc2)CC1)NO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 16/20 1.00
MMP2 P08253 13/20 1.00
ALDH1A1 P00352 1/20 0.55
PKM P14618 1/20 0.55
MMP1 P03956 1/20 0.52
MMP7 P09237 1/20 0.52
MMP9 P14780 1/20 0.52
MMP13 P45452 1/20 0.52
MMP14 P50281 1/20 0.52
USP5 P45974 1/20 0.51
KDM4E B2RXH2 1/20 0.49

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
SCHEMBL6586571 0.97 MMP3 (0.95) MMP3MMP2ALDH1A1PKMUSP5
SCHEMBL6586622 0.87 MMP3 (1.00) MMP3MMP2ALDH1A1PKMUSP5
SCHEMBL6586215 0.87 MMP3 (1.00) MMP3MMP2ALDH1A1PKMUSP5
SCHEMBL6590060 0.85 MMP3 (0.73) MMP3MMP2ALDH1A1PKMUSP5
SCHEMBL6586371 0.84 MMP3 (0.77) MMP3MMP2KDM4E
SCHEMBL6591126 0.84 MMP3 (1.00) MMP3MMP2ALDH1A1PKMUSP5
SCHEMBL6586239 0.83 MMP3 (0.81) MMP3MMP2
SCHEMBL6586496 0.82 MMP2 (0.69) MMP3MMP2ALDH1A1PKMUSP5
SCHEMBL6583589 0.79 MMP3 (0.79) MMP3MMP2KDM4E
SCHEMBL6584819 0.78 MMP3 (0.80) MMP3MMP2

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