SCHEMBL7301710

SCHEMBL7301710

O=C(NO)C1(CS(=O)(=O)c2ccc(Oc3ccc(F)cc3)cc2)CCOCC1

nearest known ligand 0.80

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 19/20 0.80
MMP13 P45452 17/20 0.80
MMP2 P08253 7/20 0.80
MMP3 P08254 7/20 0.80
MMP9 P14780 7/20 0.80
MMP8 P22894 6/20 0.80
MMP14 P50281 6/20 0.80
MMP7 P09237 2/20 0.80
ABCB11 O95342 1/20 0.80
MMP10 P09238 1/20 0.80
ADAM17 P78536 1/20 0.80
MMP12 P39900 1/20 0.64

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
SCHEMBL7308448 0.90 MMP1 (0.81) MMP1MMP13MMP2MMP3MMP9
SCHEMBL7306093 0.90 MMP1 (0.81) MMP1MMP13MMP2MMP3MMP9
Cts-1027 SCHEMBL2381112 0.89 MMP1 (1.00) MMP1MMP13MMP2MMP3MMP9
SCHEMBL3984079 0.89 MMP1 (0.80) MMP1MMP13MMP2MMP3MMP9
SCHEMBL8000267 0.88 MMP13 (0.75) MMP1MMP13MMP2MMP3MMP9
Hydrochloric Acid SCHEMBL7349688 0.87 MMP13 (0.77) MMP1MMP13MMP2MMP3MMP9
SCHEMBL7304922 0.82 MMP1 (0.70) MMP1MMP13MMP2MMP3MMP9
SCHEMBL7303000 0.82 MMP1 (0.70) MMP1MMP13MMP2MMP3MMP9
SCHEMBL7302287 0.81 MMP1 (0.68) MMP1MMP13MMP2MMP3MMP9
SCHEMBL7000007 0.81 MMP13 (0.66) MMP1MMP13MMP2MMP3MMP9

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