SCHEMBL7133709

SCHEMBL7133709

CCOc1ccc(S(=O)(=O)C(C)(Cc2ccc(OCCN(C(C)C)C(C)C)cc2)C(=O)NO)cc1

nearest known ligand 0.85

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 16/20 0.85
MMP9 P14780 16/20 0.85
MMP13 P45452 16/20 0.85

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
SCHEMBL6929195 0.92 MMP13 (1.00) MMP1MMP9MMP13
SCHEMBL6928992 0.89 MMP1 (1.00) MMP1MMP9MMP13
Diethylamine SCHEMBL6933694 0.84 MMP13 (0.74) MMP1MMP9MMP13
SCHEMBL7133713 0.84 MMP1 (0.68) MMP1MMP9MMP13
SCHEMBL6928993 0.83 MMP1 (0.69) MMP1MMP9MMP13
SCHEMBL6933162 0.83 MMP13 (0.71) MMP1MMP9MMP13
SCHEMBL6930709 0.82 MMP13 (1.00) MMP1MMP9MMP13
SCHEMBL7072896 0.81 MMP9 (0.74) MMP1MMP9MMP13
SCHEMBL7071270 0.81 MMP13 (0.80) MMP1MMP9MMP13
Diethylamine SCHEMBL6932200 0.81 MMP13 (0.71) MMP1MMP9MMP13

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
EP-0970046-B1 N-HYDROXY-2-(ALKYL, ARYL, OR HETEROARYL SULFANYL, SULFINYL OR SULFONYL)-3-SUBSTITUTED ALKYL, ARYL OR HETEROARYLAMIDES AS MATRIX METALLOPROTEINASE INHIBITORS WYETH CORP (US) 2003-12-10 EP disclosed
US-6444704-B1 ANTIINFLAMMATORY AGENTS, ANTIARTHRITIC AGENTS, ANTITUMOR AGENTS AMERICAN HOME PRODUCTS CORPORATION 2002-09-03 US disclosed
US-6342508-B1 ENZYME INHIBITORS FOR PROTECTION OF CONNECTIVE TISSUES AMERICAN CYANAMID COMPANY 2002-01-29 US disclosed
US-6172057-B1 ANTIINFLAMMATORY AGENTS; ANTIARTHRITIC AGENTS; ANTITUMOR AGENTS AMERICAN CYANAMID COMPANY 2001-01-09 US disclosed