SCHEMBL7308448

SCHEMBL7308448

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

nearest known ligand 0.81

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 17/20 0.81
MMP13 P45452 15/20 0.81
MMP2 P08253 10/20 0.81
MMP14 P50281 9/20 0.81
MMP3 P08254 8/20 0.81
MMP9 P14780 8/20 0.81
MMP8 P22894 7/20 0.81
MMP7 P09237 2/20 0.81
ADAM17 P78536 2/20 0.81
ABCB11 O95342 1/20 0.81
MMP10 P09238 1/20 0.81
MMP12 P39900 1/20 0.51

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
SCHEMBL7306093 0.91 MMP1 (0.81) MMP1MMP13MMP2MMP14MMP3
Cts-1027 SCHEMBL2381112 0.90 MMP1 (1.00) MMP1MMP13MMP2MMP14MMP3
SCHEMBL7301710 0.90 MMP1 (0.80) MMP1MMP13MMP2MMP14MMP3
SCHEMBL3984079 0.90 MMP1 (0.80) MMP1MMP13MMP2MMP14MMP3
SCHEMBL7306941 0.88 MMP1 (0.64) MMP1MMP13MMP2MMP14MMP3
Hydrochloric Acid SCHEMBL7349688 0.88 MMP13 (0.77) MMP1MMP13MMP2MMP14MMP3
SCHEMBL8000267 0.87 MMP13 (0.75) MMP1MMP13MMP2MMP14MMP3
SCHEMBL7303000 0.83 MMP1 (0.70) MMP1MMP13MMP2MMP14MMP3
SCHEMBL7304922 0.83 MMP1 (0.70) MMP1MMP13MMP2MMP14MMP3
SCHEMBL7302287 0.82 MMP1 (0.68) MMP1MMP13MMP2MMP14MMP3

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