SCHEMBL6767876

SCHEMBL6767876

CC(C)(NS(=O)(=O)c1ccc2c(c1)oc1ccccc12)C(=O)NO

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 1/20 0.49
ADAM17 P78536 2/20 0.48
MMP13 P45452 5/20 0.47
MMP1 P03956 2/20 0.47
MMP9 P14780 2/20 0.47
MMP2 P08253 1/20 0.47
MMP12 P39900 4/20 0.46
HDAC1 Q13547 1/20 0.45
LMNA P02545 3/20 0.45
HTT P42858 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
TSHR P16473 2/20 0.45
MAPT P10636 2/20 0.45
MAPK1 P28482 2/20 0.45
USP2 O75604 1/20 0.43
BCAT1 P54687 2/20 0.42
NPSR1 Q6W5P4 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
SCHEMBL6771399 0.88 ALDH1A1 (0.51) ALDH1A1KDM4EMMP13MMP12LMNA
SCHEMBL6770979 0.85 KDM4E (0.46) ALDH1A1KDM4EADAM17MMP13MMP1
SCHEMBL6767808 0.80 MMP1 (0.45) ALDH1A1KDM4EADAM17MMP13MMP1
SCHEMBL6767630 0.80 MMP1 (0.45) ALDH1A1KDM4EADAM17MMP13MMP1
SCHEMBL6770871 0.79 MMP1 (0.44) ALDH1A1KDM4EADAM17MMP13MMP1
SCHEMBL6773578 0.79 MMP1 (0.44) ALDH1A1KDM4EADAM17MMP13MMP1
SCHEMBL1771100 0.77 MMP1 (0.56) ALDH1A1ADAM17MMP13MMP1MMP9
SCHEMBL6771315 0.74 PLG (0.51) ALDH1A1KDM4EMMP13MMP9MMP2
SCHEMBL25490128 0.72 HTT (0.58) ALDH1A1KDM4EMMP13MMP12LMNA
SCHEMBL23693718 0.71 TSHR (0.56) ALDH1A1KDM4EMMP13MMP12LMNA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1210326-B1 HYDROXAMIC ACID COMPOUNDS USEFUL AS MATRIX METALLOPROTEINASE INHIBITORS WARNER LAMBERT CO (US) 2004-02-25 EP claimed
US-6677355-B1 DIBENZOFURAN-3-(SULFONYLAMINO OR SULFINAMINO) DERIVATIVES; MULTIPLE SCLEROSIS, ATHEROSCLEROSIS, HEART FAILURE, PERIODONTAL DISEASE, OSTEOARTHRITIS, AUTOIMMUNE DISEASE; ANTICARCINOGENIC AGENTS WARNER-LAMBERT COMPANY 2004-01-13 US claimed
EP-1210326-A2 HYDROXAMIC ACID COMPOUNDS USEFUL AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2002-06-05 EP claimed
WO-2001012592-A2 HYDROXAMIC ACID COMPOUNDS USEFUL AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-02-22 WO claimed
EP-1210326-B1 HYDROXAMIC ACID COMPOUNDS USEFUL AS MATRIX METALLOPROTEINASE INHIBITORS WARNER LAMBERT CO (US) 2004-02-25 EP disclosed
US-6677355-B1 DIBENZOFURAN-3-(SULFONYLAMINO OR SULFINAMINO) DERIVATIVES; MULTIPLE SCLEROSIS, ATHEROSCLEROSIS, HEART FAILURE, PERIODONTAL DISEASE, OSTEOARTHRITIS, AUTOIMMUNE DISEASE; ANTICARCINOGENIC AGENTS WARNER-LAMBERT COMPANY 2004-01-13 US disclosed
EP-1210326-A2 HYDROXAMIC ACID COMPOUNDS USEFUL AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2002-06-05 EP disclosed
WO-2001012592-A2 HYDROXAMIC ACID COMPOUNDS USEFUL AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-02-22 WO disclosed