SCHEMBL8501409

SCHEMBL8501409

CCOCON1CCC[C@]1(C(=O)OC)S(=O)(=O)c1ccc(OC)cc1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 16/20 0.45
MMP13 P45452 16/20 0.45
MMP1 P03956 13/20 0.45
APP P05067 3/20 0.43
ADAM17 P78536 7/20 0.42
ALDH1A1 P00352 1/20 0.39
MMP2 P08253 1/20 0.39

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 0.79 MMP9 (0.50) MMP9MMP13MMP1ADAM17ALDH1A1
SCHEMBL8498354 0.79 MMP9 (0.50) MMP9MMP13MMP1ADAM17ALDH1A1
SCHEMBL8499613 0.73 MMP9 (0.48) MMP9MMP13MMP1APPADAM17
SCHEMBL8501596 0.72 MMP9 (0.44) MMP9MMP13MMP1ADAM17MMP2
SCHEMBL8498339 0.72 MMP9 (0.48) MMP9MMP13MMP1APPADAM17
SCHEMBL8501412 0.71 CYP2C19 (0.36) APPALDH1A1MMP2
SCHEMBL8500443 0.71 MMP9 (0.43) MMP9MMP13MMP1APPADAM17
SCHEMBL8502526 0.68 MMP1 (0.46) MMP9MMP13MMP1APPADAM17
SCHEMBL8501551 0.68 CYP3A4 (0.52) MMP9MMP13MMP1ADAM17ALDH1A1
SCHEMBL8525528 0.67 MMP13 (0.43) MMP9MMP13MMP1ADAM17ALDH1A1

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