SCHEMBL8595759

SCHEMBL8595759

CC(C)COC(=O)[C@H](C)NC(=O)Cc1ccsc1.C[C@H](NC(=O)Cc1ccccc1)C(=O)O.Cc1ccc(CC(=O)N[C@@H](C)C(=O)OCC(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 3/20 0.45
NFE2L2 Q16236 3/20 0.45
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
PSMB8 P28062 1/20 0.43
PSMB5 P28074 1/20 0.43
MAPT P10636 3/20 0.43
MME P08473 1/20 0.42
HPGD P15428 2/20 0.42
PSEN1 P49768 2/20 0.41
PSEN2 P49810 2/20 0.41
APH1B Q8WW43 2/20 0.41
NCSTN Q92542 2/20 0.41
APH1A Q96BI3 2/20 0.41
PSENEN Q9NZ42 2/20 0.41
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
GAA P10253 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
UTS2R Q9UKP6 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
SCHEMBL8595758 1.00 KEAP1 (0.45) KEAP1NFE2L2CNR1CNR2PSMB8
SCHEMBL8445031 0.93 KEAP1 (0.40) KEAP1NFE2L2CNR1CNR2PSMB8
SCHEMBL8444977 0.91 CNR2 (0.53) KEAP1NFE2L2CNR1CNR2PSMB8
SCHEMBL8444975 0.91 CNR2 (0.53) KEAP1NFE2L2CNR1CNR2PSMB8
SCHEMBL4426111 0.86 ALDH1A1 (0.51) MAPTMMEHPGDPSEN1PSEN2
SCHEMBL4426109 0.86 ALDH1A1 (0.51) MAPTMMEHPGDPSEN1PSEN2
SCHEMBL7157324 0.83 MME (0.43) MAPTMMEPSEN1PSEN2APH1B
SCHEMBL4552318 0.82 HPGD (0.55) KEAP1NFE2L2CNR1CNR2PSMB8
SCHEMBL4415496 0.82 HPGD (0.55) KEAP1NFE2L2CNR1CNR2PSMB8
SCHEMBL4414750 0.81 POLB (0.54) CNR1CNR2PSMB8PSMB5MAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998022430-A9 N-(ARYL/HETEROARYLACETYL) AMINO ACID ESTERS, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, AND METHODS FOR INHIBITING b-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS BY USE OF SUCH COMPOUNDS 1998-08-20 WO claimed