SCHEMBL8501600

SCHEMBL8501600

COC(=O)[C@]1(S(=O)(=O)c2ccccc2)C[C@H](OC)CN1N=[N+]=[N-]

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.35
ANPEP P15144 1/20 0.32
CYP3A4 P08684 2/20 0.31
CYP2C9 P11712 2/20 0.31
CYP2C19 P33261 2/20 0.31
CYP2D6 P10635 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM3 P20309 1/20 0.31
GAA P10253 1/20 0.31
MCOLN3 Q8TDD5 1/20 0.31
PKM P14618 1/20 0.31
APP P05067 1/20 0.30

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
SCHEMBL8498357 0.80 MMP2 (0.37) MMP2ANPEPCYP3A4CYP2C9CYP2C19
SCHEMBL8527277 0.80 CHRM4 (0.38) MMP2ANPEPCYP3A4CYP2C9CYP2C19
SCHEMBL8498342 0.77 MMP1 (0.39) CYP3A4CYP2C9CYP2C19CYP2D6PKM
SCHEMBL8499616 0.73 MMP2 (0.36) MMP2ANPEPCYP3A4CYP2C9CYP2C19
SCHEMBL8501412 0.72 CYP2C19 (0.36) MMP2ANPEPCYP3A4CYP2C9CYP2C19
SCHEMBL8501553 0.71 MMP2 (0.37) MMP2ANPEPCYP3A4CYP2C9CYP2C19
SCHEMBL8502529 0.70 USP30 (0.37) MMP2ANPEP
SCHEMBL8501596 0.70 MMP9 (0.44) MMP2PKM
SCHEMBL16865191 0.69 MAPT (0.41) MMP2ANPEPCYP3A4CYP2C9CYP2C19
SCHEMBL8502017 0.66 HCRTR1 (0.34) MMP2GAAPKM

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