SCHEMBL6583574

SCHEMBL6583574

O=C(CS(=O)(=O)N1CC(Oc2ccc(-c3ccccc3)cc2)C1)NO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 14/20 1.00
MMP2 P08253 8/20 0.58
MMP1 P03956 1/20 0.49
MMP7 P09237 1/20 0.49
MMP9 P14780 1/20 0.49
MMP13 P45452 1/20 0.49
MMP14 P50281 1/20 0.49
NAAA Q02083 1/20 0.45
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42

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
SCHEMBL6586996 0.85 MMP3 (0.74) MMP3MMP2NAAA
SCHEMBL6587433 0.73 MMP3 (1.00) MMP3MMP2MMP1MMP7MMP9
SCHEMBL3414409 0.71 NAAA (0.58) MMP3NAAA
SCHEMBL6095581 0.71 MMP13 (0.60) MMP3MMP2MMP1MMP13MMP14
SCHEMBL6098206 0.71 MMP13 (0.60) MMP3MMP2MMP1MMP13
SCHEMBL6586571 0.70 MMP3 (0.95) MMP3MMP2
SCHEMBL6586217 0.69 MMP3 (1.00) MMP3MMP2MMP1MMP9MMP13
SCHEMBL6585983 0.68 MMP3 (0.62) MMP3MMP2MMP13HDAC3HDAC4
SCHEMBL4654716 0.68 MMP3 (0.85) MMP3MMP2MMP1MMP9MMP13
SCHEMBL518106 0.68 NAMPT (0.56) MMP3NAAA

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