SCHEMBL8019447

SCHEMBL8019447

COCC(=O)N1CC(C(=O)OC)N(S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)Cc2ccccc21

nearest known ligand 0.86

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 18/20 0.86
MMP13 P45452 18/20 0.86
ADAM17 P78536 18/20 0.86
MMP9 P14780 17/20 0.86
MMP8 P22894 2/20 0.54
MMP3 P08254 1/20 0.54

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
SCHEMBL7569364 0.93 MMP1 (0.83) MMP1MMP13ADAM17MMP9MMP8
SCHEMBL6610165 0.90 MMP1 (0.84) MMP1MMP13ADAM17MMP9
SCHEMBL7427908 0.88 MMP1 (0.81) MMP1MMP13ADAM17MMP9MMP8
SCHEMBL7423746 0.84 MMP1 (0.82) MMP1MMP13ADAM17MMP9MMP8
SCHEMBL6608627 0.84 MMP1 (0.71) MMP1MMP13ADAM17MMP9
SCHEMBL7428064 0.83 MMP1 (0.83) MMP1MMP13ADAM17MMP9MMP8
SCHEMBL6614443 0.83 MMP1 (0.73) MMP1MMP13ADAM17MMP9MMP3
SCHEMBL6614425 0.83 MMP1 (0.73) MMP1MMP13ADAM17MMP9
SCHEMBL6624972 0.83 MMP1 (0.81) MMP1MMP13ADAM17MMP9
SCHEMBL7221772 0.82 MMP1 (0.72) MMP1MMP13ADAM17MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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