SCHEMBL6771399

SCHEMBL6771399

CC(C)(NS(=O)(=O)c1ccc2c(c1)oc1ccccc12)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
KDM4E B2RXH2 1/20 0.51
MMP12 P39900 7/20 0.51
MMP13 P45452 6/20 0.51
PLG P00747 1/20 0.47
PLAU P00749 1/20 0.47
PLAT P00750 1/20 0.47
LMNA P02545 3/20 0.46
HTT P42858 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
TSHR P16473 2/20 0.46
MAPT P10636 2/20 0.46
MAPK1 P28482 1/20 0.46
USP2 O75604 1/20 0.45
BCAT1 P54687 3/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NPC1 O15118 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL6767876 0.88 ALDH1A1 (0.49) ALDH1A1KDM4EMMP12MMP13LMNA
SCHEMBL6771315 0.83 PLG (0.51) ALDH1A1KDM4EMMP12MMP13PLG
SCHEMBL6770618 0.79 ALDH1A1 (0.45) ALDH1A1KDM4EMMP12MMP13PLG
SCHEMBL6772123 0.79 KDM4E (0.45) ALDH1A1KDM4EPLGPLAUPLAT
SCHEMBL6778063 0.78 KDM4E (0.44) ALDH1A1KDM4EPLGPLAUPLAT
SCHEMBL10402270 0.75 BCAT1 (0.50) ALDH1A1KDM4EMMP13PLGPLAU
SCHEMBL14675766 0.75 L3MBTL1 (0.57) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL4420945 0.75 MMP12 (0.86) MMP12MMP13
SCHEMBL4420941 0.75 MMP12 (0.86) MMP12MMP13
SCHEMBL3072979 0.75 MMP12 (0.67) ALDH1A1KDM4EMMP12MMP13PLG

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