SCHEMBL8044091

SCHEMBL8044091

CCCCCCCCS(=O)(=O)N(CC(=O)NO)Cc1ccc(Cl)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 2/20 0.45
PPARG P37231 10/20 0.42
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP13 P45452 1/20 0.40
MMP3 P08254 1/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
HTT P42858 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL8044117 0.84 BMP1 (0.46) BMP1MMP1MMP2MMP9MMP8
SCHEMBL6412306 0.84 BMP1 (0.54) BMP1MMP1MMP2MMP9MMP8
SCHEMBL6411529 0.77 BMP1 (0.53) BMP1MMP1MMP2MMP9MMP8
SCHEMBL6421485 0.76 BMP1 (0.53) BMP1MMP1MMP2MMP9MMP8
SCHEMBL6412691 0.75 BMP1 (0.47) BMP1MMP1MMP2MMP9MMP8
SCHEMBL8037719 0.74 BMP1 (0.56) BMP1MMP1MMP2MMP9MMP8
SCHEMBL8027629 0.74 BMP1 (0.56) BMP1MMP1MMP2MMP9MMP8
SCHEMBL6417009 0.74 BMP1 (0.53) BMP1MMP1MMP2MMP9MMP8
SCHEMBL8041132 0.72 BMP1 (0.58) BMP1MMP1MMP2MMP9MMP8
SCHEMBL8038085 0.70 BMP1 (0.69) BMP1MMP1MMP9MMP13MMP3

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