SCHEMBL6608519

SCHEMBL6608519

COC(=O)C(CO)N(Cc1cc(C)ccc1[N+](=O)[O-])S(=O)(=O)c1ccc(OC)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 4/20 0.55
MMP13 P45452 4/20 0.55
MMP8 P22894 3/20 0.55
MMP9 P14780 3/20 0.55
MMP2 P08253 2/20 0.55
BMP1 P13497 7/20 0.48
CA2 P00918 1/20 0.48
MMP7 P09237 1/20 0.46
MMP12 P39900 1/20 0.46
KEAP1 Q14145 2/20 0.44
POLB P06746 1/20 0.44
MCOLN3 Q8TDD5 1/20 0.44
NFE2L2 Q16236 1/20 0.44

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
SCHEMBL6616241 0.90 MMP1 (0.54) MMP1MMP13MMP8MMP9MMP2
SCHEMBL5654237 0.88 MMP1 (0.69) MMP1MMP13MMP8MMP9MMP2
SCHEMBL6610164 0.87 BMP1 (0.48) MMP1MMP13MMP8MMP9MMP2
SCHEMBL6608022 0.85 MMP1 (0.53) MMP1MMP13MMP8MMP9MMP2
SCHEMBL6608761 0.81 MMP1 (0.44) MMP1MMP13MMP8MMP9MMP2
SCHEMBL6611402 0.79 MMP1 (0.68) MMP1MMP13MMP8MMP9MMP2
SCHEMBL8021638 0.79 MMP1 (0.57) MMP1MMP13MMP8MMP9MMP2
SCHEMBL8020649 0.78 KEAP1 (0.53) MMP1MMP13MMP8MMP9MMP2
SCHEMBL7390378 0.78 MMP1 (0.56) MMP1MMP13MMP8MMP9MMP2
SCHEMBL5655796 0.77 KEAP1 (0.56) MMP1MMP13MMP8MMP9MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1147095-B1 2, 3, 4, 5-TETRAHYDRO-1H-[1, 4] BENZODIAZEPINE-3-HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE INHIBITORS WYETH CORP (US) 2004-08-11 EP disclosed
US-6544984-B1 Treating disease conditions mediated by matrix metalloproteinases and TACE, such as tumor growth, osteoarthritis, rheumatoid arthritis and degenerative cartilage loss. AMERICAN CYANAMID COMPANY 2003-04-08 US disclosed
EP-1147095-A1 2, 3, 4, 5-TETRAHYDRO-1H-[1, 4] BENZODIAZEPINE-3-HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE INHIBITORS American Cyanamid Company (US) 2001-10-24 EP disclosed
EP-1051407-A1 2,3,4,5-TETRAHYDRO-1H-[1,4]-BENZODIAZEPINE-3-HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE INHIBITORS American Cyanamid Company (US) 2000-11-15 EP disclosed
WO-2000044730-A1 2,3,4,5-TETRAHYDRO-1H-[1,4]BENZODIAZEPINE-3-HYDROXAMIC ACID AS MATRIX METALLOPROTEINASE INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-08-03 WO disclosed
US-6071903-A ENZYME INHIBITORS OF MATRIX METALLOPROTEINASES (MMPS); ANTITUMOR,-CARCINOGENIC AND -ARTHRITIC AGENTS; OSTEOARTHRITIS; RHEUMATOID DISEASES; DEGENERATIVE CARTILAGE LOSS; LONG-ACTING, ORALLY BIOAVAILABLE NONPEPTIDE INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-06-06 US disclosed
WO-1999037625-A1 2,3,4,5-TETRAHYDRO-1H-[1,4]-BENZODIAZEPINE-3-HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE INHIBITORS AMERICAN CYANAMID COMPANY (US) 1999-07-29 WO disclosed