SCHEMBL8501596

SCHEMBL8501596

COC(=O)[C@]1(S(=O)(=O)c2ccc(OC)cc2)CCCN1N=[N+]=[N-]

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 17/20 0.44
MMP13 P45452 15/20 0.44
MMP1 P03956 12/20 0.44
ADAM17 P78536 5/20 0.41
MMP2 P08253 4/20 0.40
MMP3 P08254 3/20 0.40
MMP8 P22894 2/20 0.40
MMP7 P09237 1/20 0.39
PKM P14618 1/20 0.39
MMP10 P09238 1/20 0.38

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
SCHEMBL8527273 0.80 MMP9 (0.50) MMP9MMP13MMP1ADAM17MMP2
SCHEMBL8498354 0.80 MMP9 (0.50) MMP9MMP13MMP1ADAM17MMP2
SCHEMBL8498339 0.74 MMP9 (0.48) MMP9MMP13MMP1ADAM17MMP3
SCHEMBL8501409 0.72 MMP9 (0.45) MMP9MMP13MMP1ADAM17MMP2
SCHEMBL8500443 0.72 MMP9 (0.43) MMP9MMP13MMP1ADAM17MMP2
SCHEMBL8499613 0.72 MMP9 (0.48) MMP9MMP13MMP1ADAM17MMP2
SCHEMBL8502526 0.70 MMP1 (0.46) MMP9MMP13MMP1ADAM17MMP2
SCHEMBL8501551 0.69 CYP3A4 (0.52) MMP9MMP13MMP1ADAM17MMP2
SCHEMBL8525528 0.69 MMP13 (0.43) MMP9MMP13MMP1ADAM17MMP2
SCHEMBL8199043 0.66 MMP1 (0.52) MMP9MMP13MMP1MMP2MMP3

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-0927161-A1 SUBSTITUTED CYCLIC AMINE METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 1999-07-07 EP disclosed
WO-1998008815-A1 SUBSTITUTED CYCLIC AMINE METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 1998-03-05 WO disclosed