SCHEMBL7409682

SCHEMBL7409682

CCCCCCCCCCCCC(C(=O)NO)S(=O)(=O)c1ccc(OC)cc1.CCCCCCCCCCCCC(Sc1ccc(OC)cc1)C(=O)OCC

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 12/20 0.74
MMP1 P03956 12/20 0.74
MMP13 P45452 11/20 0.74
ADAM17 P78536 7/20 0.74
MMP2 P08253 6/20 0.52
MMP3 P08254 6/20 0.52
PDE4A P27815 2/20 0.44
PDE4B Q07343 2/20 0.44
PDE4C Q08493 2/20 0.44
PDE4D Q08499 2/20 0.44
ALOX5 P09917 1/20 0.41
MMP7 P09237 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL6927179 0.86 MMP1 (1.00) MMP9MMP1MMP13ADAM17MMP2
SCHEMBL1847769 0.86 MMP1 (1.00) MMP9MMP1MMP13ADAM17MMP2
SCHEMBL6927165 0.84 ALOX5 (0.53) MMP9MMP1MMP13ADAM17MMP2
SCHEMBL6929348 0.84 ALOX5 (0.53) MMP9MMP1MMP13ADAM17MMP2
SCHEMBL6934185 0.83 ALOX5 (0.53) MMP9MMP1MMP13ADAM17ALOX5
SCHEMBL6929323 0.82 MMP13 (1.00) MMP9MMP1MMP13ADAM17MMP2
SCHEMBL6930079 0.81 MMP9 (0.70) MMP9MMP1MMP13ADAM17MMP2
SCHEMBL6933449 0.81 MMP13 (0.72) MMP9MMP1MMP13ADAM17MMP2
SCHEMBL6933028 0.81 MMP13 (0.72) MMP9MMP1MMP13ADAM17MMP2
SCHEMBL6928553 0.81 MMP13 (0.72) MMP9MMP1MMP13ADAM17MMP2

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-1054858-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) 2000-11-29 EP disclosed
WO-1999042436-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) 1999-08-26 WO disclosed