SCHEMBL6586217

SCHEMBL6586217

O=C(CS(=O)(=O)N1CCC(c2ccc(Oc3ccccc3)cc2)CC1)NO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 5/20 1.00
MMP2 P08253 4/20 0.47
MMP13 P45452 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
MMP8 P22894 1/20 0.46
MMP12 P39900 1/20 0.46
MMP9 P14780 1/20 0.46
MMP1 P03956 2/20 0.45
ADAMTS4 O75173 1/20 0.45
MMP14 P50281 1/20 0.45
MEP1B Q16820 1/20 0.45
ADAMTS5 Q9UNA0 1/20 0.45
RECQL P46063 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44

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
SCHEMBL4654716 0.89 MMP3 (0.85) MMP3MMP2MMP13ALDH1A1MMP9
SCHEMBL6585216 0.87 MMP3 (1.00) MMP3MMP2MMP13ALDH1A1MMP9
SCHEMBL6590110 0.86 MMP3 (0.76) MMP3SMN1; SMN2ALDH1A1LMNARECQL
SCHEMBL6588226 0.75 MMP3 (0.60) MMP3MMP2MMP13ALDH1A1HDAC6
SCHEMBL6585983 0.74 MMP3 (0.62) MMP3MMP2MMP13SMN1; SMN2ALDH1A1
SCHEMBL6584929 0.74 MMP3 (0.72) MMP3MMP2MMP13ALDH1A1LMNA
SCHEMBL6587821 0.73 MMP3 (0.73) MMP3MMP2MMP9MMP1MMP14
SCHEMBL7474955 0.71 ALDH1A1 (0.66) MMP3SMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL945091 0.70 MMP3 (0.54) MMP3SMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL12041706 0.70 S1PR1 (0.69) MMP3ALDH1A1LMNA

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