SCHEMBL7308343

SCHEMBL7308343

O=C(CC1(S(=O)(=O)c2ccc(OC3CCCCC3)cc2)CCOCC1)NO

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 13/20 0.67
MMP13 P45452 12/20 0.46
MMP2 P08253 10/20 0.46
MMP8 P22894 9/20 0.46
MMP9 P14780 9/20 0.43
ADAM17 P78536 2/20 0.43
MMP14 P50281 7/20 0.43
MMP3 P08254 6/20 0.43
MMP7 P09237 1/20 0.42
HRH3 Q9Y5N1 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
SCHEMBL7307897 0.80 MMP1 (1.00) MMP1MMP13MMP2MMP8MMP9
SCHEMBL7302803 0.80 MMP1 (0.83) MMP1MMP13MMP2MMP8MMP9
SCHEMBL7302762 0.79 MMP1 (0.81) MMP1MMP13MMP2MMP8MMP9
SCHEMBL4314591 0.79 MMP1 (1.00) MMP1MMP13MMP2MMP8MMP9
SCHEMBL8334607 0.74 MMP13 (0.67) MMP1MMP13MMP2MMP8MMP9
SCHEMBL7311267 0.74 MMP1 (0.73) MMP1MMP13MMP2MMP8MMP9
SCHEMBL6823262 0.73 MMP1 (0.59) MMP1MMP13MMP2MMP8MMP9
SCHEMBL7301387 0.73 MMP1 (0.79) MMP1MMP13MMP2MMP8MMP9
SCHEMBL7309090 0.71 MMP1 (0.80) MMP1MMP13MMP2MMP8MMP9
SCHEMBL5919453 0.71 MMP13 (0.62) MMP1MMP13MMP2MMP8MMP9

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-0780386-B1 Matrix metalloprotease inhibitors HOFFMANN LA ROCHE (CH) 2002-10-02 EP disclosed
EP-0780386-A1 Matrix metalloprotease inhibitors F. HOFFMANN-LA ROCHE AG (CH) 1997-06-25 EP disclosed