SCHEMBL8527277

SCHEMBL8527277

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 3/20 0.38
CHRM3 P20309 3/20 0.38
MMP2 P08253 5/20 0.37
ANPEP P15144 1/20 0.36
CHRM5 P08912 2/20 0.35
CHRM1 P11229 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP2D6 P10635 1/20 0.35
PKM P14618 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA7 P43166 1/20 0.34
HTT P42858 2/20 0.33
MAPT P10636 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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 0.87 MMP2 (0.37) CHRM4CHRM3MMP2ANPEPCYP3A4
SCHEMBL8498342 0.84 MMP1 (0.39) CYP3A4CYP2C9CYP2C19CYP2D6PKM
SCHEMBL8501600 0.80 MMP2 (0.35) CHRM4CHRM3MMP2ANPEPCYP3A4
SCHEMBL8499616 0.79 MMP2 (0.36) CHRM4CHRM3MMP2ANPEPCYP3A4
SCHEMBL8501412 0.79 CYP2C19 (0.36) MMP2ANPEPCYP3A4CYP2C9CYP2C19
SCHEMBL8501553 0.77 MMP2 (0.37) MMP2ANPEPCYP3A4CYP2C9CYP2C19
SCHEMBL8502529 0.77 USP30 (0.37) MMP2ANPEPHTT
SCHEMBL16865191 0.75 MAPT (0.41) MMP2ANPEPCYP3A4CYP2C9CYP2C19
SCHEMBL2770703 0.75 CYP3A4 (0.42) MMP2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL8502017 0.72 HCRTR1 (0.34) MMP2PKMMEN1KMT2AMAPT

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