SCHEMBL7304697

SCHEMBL7304697

O=C(NO)C1(CSc2ccc(Oc3ccc(F)cc3)cc2)CCOCC1

nearest known ligand 0.79

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 14/20 0.54
MMP13 P45452 13/20 0.54
MMP14 P50281 5/20 0.54
MMP2 P08253 5/20 0.54
MMP3 P08254 4/20 0.54
MMP9 P14780 4/20 0.54
MMP8 P22894 4/20 0.54
MMP12 P39900 1/20 0.54
ABCB11 O95342 1/20 0.50
MMP7 P09237 1/20 0.50
MMP10 P09238 1/20 0.50
ADAM17 P78536 1/20 0.50

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
SCHEMBL7313882 0.89 MMP1 (0.55) MMP1MMP13MMP14MMP2MMP3
SCHEMBL7304591 0.88 MMP1 (0.64) MMP1MMP13MMP14MMP2MMP3
SCHEMBL7303606 0.87 MMP1 (0.43) MMP1MMP13MMP14MMP2MMP3
SCHEMBL7993340 0.81 MMP1 (0.56) MMP1MMP13MMP14MMP2MMP3
SCHEMBL7301710 0.78 MMP1 (0.80) MMP1MMP13MMP14MMP2MMP3
SCHEMBL3941951 0.78 ADAM17 (0.54) MMP1MMP13MMP14MMP2MMP9
SCHEMBL7305973 0.77 MEN1 (0.43) MMP1MMP13MMP14MMP2MMP3
SCHEMBL2409029 0.75 MMP1 (0.50) MMP1MMP13MMP14MMP2MMP3
SCHEMBL7308927 0.74 MMP1 (0.50) MMP1MMP13MMP14MMP2MMP3
SCHEMBL7310855 0.74 MMP13 (0.56) MMP1MMP13MMP14MMP2MMP3

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