SCHEMBL6585216

SCHEMBL6585216

O=C(CS(=O)(=O)N1CCC(c2ccc(-c3ccccc3)cc2)CC1)NO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 12/20 1.00
MMP2 P08253 8/20 0.62
MMP13 P45452 2/20 0.50
MMP1 P03956 1/20 0.50
MMP7 P09237 1/20 0.50
MMP9 P14780 1/20 0.50
MMP14 P50281 1/20 0.50
HDAC3 O15379 2/20 0.46
HDAC4 P56524 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC7 Q8WUI4 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC10 Q969S8 2/20 0.46
HDAC11 Q96DB2 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC9 Q9UKV0 2/20 0.46
HDAC5 Q9UQL6 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46

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 0.92 MMP3 (0.85) MMP3MMP2MMP13MMP1MMP9
SCHEMBL6586217 0.87 MMP3 (1.00) MMP3MMP2MMP13MMP1MMP9
SCHEMBL6584929 0.84 MMP3 (0.72) MMP3MMP2MMP13NPC1RAB9A
SCHEMBL6587433 0.77 MMP3 (1.00) MMP3MMP2MMP13MMP1MMP7
SCHEMBL6585983 0.77 MMP3 (0.62) MMP3MMP2MMP13HDAC3HDAC4
SCHEMBL6588226 0.75 MMP3 (0.60) MMP3MMP2MMP13HDAC6KDM4E
SCHEMBL6583574 0.74 MMP3 (1.00) MMP3MMP2MMP13MMP1MMP7
SCHEMBL6586571 0.74 MMP3 (0.95) MMP3MMP2KDM4EALDH1A1
SCHEMBL6587821 0.73 MMP3 (0.73) MMP3MMP2MMP1MMP9MMP14
SCHEMBL6590110 0.72 MMP3 (0.76) MMP3HDAC6KDM4EALDH1A1

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