SCHEMBL7346604

SCHEMBL7346604

CCCCCCCCC(C(=O)O)S(=O)(=O)c1ccc(OC)cc1

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 9/20 0.75
MMP1 P03956 9/20 0.75
MMP9 P14780 8/20 0.75
ADAM17 P78536 4/20 0.75
MMP2 P08253 6/20 0.61
MMP3 P08254 4/20 0.61
HSD17B10 Q99714 1/20 0.47
ALDH1A1 P00352 1/20 0.46
CTRC Q99895 1/20 0.46
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46

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
SCHEMBL6928909 1.00 MMP13 (0.75) MMP13MMP1MMP9ADAM17MMP2
SCHEMBL6933212 0.94 MMP13 (0.74) MMP13MMP1MMP9ADAM17MMP2
SCHEMBL10419183 0.87 MMP1 (0.58) MMP13MMP1MMP9ADAM17MMP2
SCHEMBL6933028 0.87 MMP13 (0.72) MMP13MMP1MMP9ADAM17MMP2
SCHEMBL6933449 0.87 MMP13 (0.72) MMP13MMP1MMP9ADAM17MMP2
SCHEMBL6928553 0.87 MMP13 (0.72) MMP13MMP1MMP9ADAM17MMP2
SCHEMBL1847769 0.86 MMP1 (1.00) MMP13MMP1MMP9ADAM17MMP2
SCHEMBL7569709 0.86 MMP13 (0.70) MMP13MMP1MMP9ADAM17MMP2
SCHEMBL6927179 0.86 MMP1 (1.00) MMP13MMP1MMP9ADAM17MMP2
SCHEMBL10419954 0.85 MMP1 (0.64) MMP13MMP1MMP9ADAM17MMP2

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