SCHEMBL7349141

SCHEMBL7349141

CCCCOc1ccc(S(=O)(=O)C(C)(Cc2ccc(OCCC3CCCCN3)cc2)C(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 10/20 0.52
MMP9 P14780 10/20 0.52
MMP13 P45452 10/20 0.52
ITGB3 P05106 2/20 0.40
ITGA2B P08514 2/20 0.40
ITGAV P06756 1/20 0.40
CHRM2 P08172 1/20 0.40
SLC6A4 P31645 1/20 0.40
CHEK2 O96017 1/20 0.39
S1PR5 Q9H228 1/20 0.39

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
SCHEMBL7352386 0.93 MMP1 (0.52) MMP1MMP9MMP13CHEK2
SCHEMBL7349012 0.93 MMP1 (0.46) MMP1MMP9MMP13CHEK2
SCHEMBL7402860 0.92 MMP1 (0.51) MMP1MMP9MMP13CHEK2
SCHEMBL7350596 0.92 MMP1 (0.54) MMP1MMP9MMP13CHEK2
SCHEMBL7355972 0.90 MMP1 (0.66) MMP1MMP9MMP13
SCHEMBL7347888 0.85 MMP1 (0.45) MMP1MMP9MMP13CHEK2
SCHEMBL7411808 0.84 MMP1 (0.46) MMP1MMP9MMP13CHEK2
SCHEMBL7349184 0.84 MMP1 (0.49) MMP1MMP9MMP13CHEK2
SCHEMBL7348309 0.84 MMP1 (0.51) MMP1MMP9MMP13CHEK2
SCHEMBL7354333 0.83 CHEK2 (0.38) MMP1MMP9MMP13ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0970046-A1 N-HYDROXY-2-(ALKYL, ARYL, OR HETEROARYL SULFANYL, SULFINYL OR SULFONYL)-3-SUBSTITUTED ALKYL, ARYL OR HETEROARYLAMIDES AS MATRIX METALLOPROTEINASE INHIBITORS American Cyanamid Company (US) 2000-01-12 EP disclosed
WO-1998038163-A1 N-HYDROXY-2-(ALKYL, ARYL, OR HETEROARYL SULFANYL, SULFINYL OR SULFONYL)-3-SUBSTITUTED ALKYL, ARYL OR HETEROARYLAMIDES AS MATRIX METALLOPROTEINASE INHIBITORS AMERICAN CYANAMID COMPANY (US) 1998-09-03 WO disclosed