SCHEMBL8502017

SCHEMBL8502017

COC(=O)[C@]1(S(=O)(=O)c2ccccc2)C[C@H](OC)CN1c1cccc2sc(S)nc12

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 4/20 0.34
HCRTR2 O43614 4/20 0.34
MMP2 P08253 3/20 0.34
KMT2A Q03164 3/20 0.33
MAPT P10636 4/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
RECQL P46063 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPY5R Q15761 1/20 0.31
PKM P14618 1/20 0.31
TP53 P04637 1/20 0.31
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
MAPK1 P28482 1/20 0.30
ACP1 P24666 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 0.72 MMP2 (0.37) HCRTR1HCRTR2MMP2KMT2AMAPT
SCHEMBL8527277 0.72 CHRM4 (0.38) MMP2KMT2AMAPTKDM4EALDH1A1
SCHEMBL8498342 0.69 MMP1 (0.39) KMT2AMAPTKDM4EALDH1A1HPGD
SCHEMBL8501412 0.67 CYP2C19 (0.36) MMP2KMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL8501600 0.66 MMP2 (0.35) MMP2PKMGAA
SCHEMBL8499616 0.65 MMP2 (0.36) HCRTR1HCRTR2MMP2KMT2AALDH1A1
SCHEMBL8501553 0.64 MMP2 (0.37) MMP2KMT2AMAPTKDM4EALDH1A1
SCHEMBL8502529 0.63 USP30 (0.37) MMP2
SCHEMBL16865191 0.62 MAPT (0.41) MMP2KMT2AMAPTKDM4EALDH1A1
SCHEMBL2770703 0.60 CYP3A4 (0.42) MMP2KMT2AMAPTKDM4EALDH1A1

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