SCHEMBL7534606

SCHEMBL7534606

O=C(NO)[C@H]1CCCCCN1S(=O)(=O)c1ccc(Oc2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.79

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 7/20 0.79
MMP2 P08253 6/20 0.79
MMP3 P08254 9/20 0.71
MMP1 P03956 8/20 0.71
MMP7 P09237 5/20 0.71
MMP13 P45452 4/20 0.71
MMP8 P22894 7/20 0.58
MMP12 P39900 3/20 0.56
MMP14 P50281 2/20 0.56

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
SCHEMBL7534610 1.00 MMP9 (0.79) MMP9MMP2MMP3MMP1MMP7
SCHEMBL7533393 0.99 MMP9 (0.80) MMP9MMP2MMP3MMP1MMP7
SCHEMBL7533387 0.99 MMP9 (0.80) MMP9MMP2MMP3MMP1MMP7
SCHEMBL7568599 0.94 MMP1 (0.75) MMP9MMP2MMP3MMP1MMP7
SCHEMBL7568594 0.94 MMP1 (0.75) MMP9MMP2MMP3MMP1MMP7
SCHEMBL7531686 0.93 MMP1 (0.73) MMP9MMP2MMP3MMP1MMP7
SCHEMBL7531694 0.93 MMP1 (0.73) MMP9MMP2MMP3MMP1MMP7
SCHEMBL31086908 0.92 MMP2 (0.93) MMP9MMP2MMP3MMP1MMP7
SCHEMBL7923015 0.88 MMP1 (0.75) MMP9MMP2MMP3MMP1MMP7
SCHEMBL7923021 0.88 MMP1 (0.75) MMP9MMP2MMP3MMP1MMP7

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
WO-1998050348-A1 METALLOPROTEINASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR PHARMACEUTICAL USES AGOURON PHARMACEUTICALS, INC. (US) 1998-11-12 WO claimed
US-H1992-H1 INHIBITION OF METALLOPROTEINASES AND TUMOR NECROSIS FACTOR CONVERTASE WHICH DEGRADE PROTEIN COMPONENTS OF EXTRACELLULAR MATRIX AGOURON PHARMACEUTICALS, INC. 2001-09-04 US disclosed