SCHEMBL8039632

SCHEMBL8039632

O=C(CN(CCCc1ccccc1)S(=O)(=O)Cc1ccccc1)NO

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 4/20 0.57
HDAC1 Q13547 8/20 0.54
HDAC2 Q92769 3/20 0.54
HDAC8 Q9BY41 3/20 0.54
HDAC6 Q9UBN7 2/20 0.54
HDAC3 O15379 1/20 0.54
HDAC5 Q9UQL6 1/20 0.54
ALOX5 P09917 1/20 0.51
BMP1 P13497 2/20 0.49
MMP1 P03956 5/20 0.49
MMP8 P22894 3/20 0.47
MMP13 P45452 3/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP7 P09237 2/20 0.47
MMP12 P39900 2/20 0.47
HSP90AA1 P07900 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
SCHEMBL8038065 0.85 CNR2 (0.59) MMP3HDAC1HDAC2HDAC8HDAC6
SCHEMBL8037741 0.85 CNR2 (0.59) MMP3HDAC1HDAC2HDAC8HDAC6
SCHEMBL6843429 0.85 CNR2 (0.59) MMP3HDAC1HDAC2HDAC8HDAC6
SCHEMBL7918690 0.84 CA1 (0.60) MMP3HDAC8HDAC6MMP1MMP8
SCHEMBL8038049 0.83 BMP1 (0.62) MMP3HDAC1HDAC2HDAC8HDAC6
SCHEMBL8041116 0.82 MMP2 (0.55) MMP3MMP1MMP8MMP13CA1
SCHEMBL8027608 0.81 MMP3 (0.53) MMP3HDAC1HDAC2HDAC8HDAC6
SCHEMBL8038085 0.78 BMP1 (0.69) MMP3HDAC1ALOX5BMP1MMP1
SCHEMBL8027595 0.78 BMP1 (0.69) MMP3HDAC1ALOX5BMP1MMP1
SCHEMBL8044110 0.76 MMP3 (0.59) MMP3BMP1

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
US-6124329-A AN ENZYME INHIBITOR FOR THE TREATMENT OR PROPHYLAXIS OF TISSUE BREAKDOWN, FOR EXAMPLE RHEUMATOID ARTHRITIS, OSTEOPOROSIS, PERIODONTITIS, GINGIVITIS, CORNEAL EPIDERMAL OR GASTRIC ULCERATION, AND TUMOR, MULTIPLE SCLEROSIS BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 2000-09-26 US disclosed
EP-0766664-B1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARM (GB) 2000-04-05 EP disclosed
EP-0766664-A2 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1997-04-09 EP disclosed
WO-1995035275-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1995-12-28 WO disclosed