SCHEMBL25782801

SCHEMBL25782801

C=CC(=O)NCCOC(=O)C(CC(C)C)N1C(=O)C2=C(c3ccccc3)N(C(CC(C)C)C(=O)OCCNC(=O)C=C)C(=O)C2=C1c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 6/20 0.36
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36
BCL2 P10415 3/20 0.35
BCL2L2 Q92843 3/20 0.35
GAA P10253 1/20 0.35
GSTO1 P78417 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KDM5B Q9UGL1 1/20 0.34

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
SCHEMBL25782831 0.86 MEN1 (0.35) TGM2MAPTTP53BCL2BCL2L2
SCHEMBL25781322 0.84 MAPT (0.51) MAPTTP53GAAMEN1CYP1A2
SCHEMBL25782848 0.84 MAPT (0.40) TGM2MAPTTP53GAAMEN1
SCHEMBL25781455 0.81 MAPT (0.42) TGM2MAPTTP53GAAMEN1
SCHEMBL25782965 0.81 MAPT (0.38) TGM2MAPTTP53BCL2BCL2L2
SCHEMBL25781359 0.81 MAPT (0.39) TGM2MAPTTP53BCL2BCL2L2
SCHEMBL25781419 0.80 MAPT (0.41) MAPTTP53BCL2BCL2L2GAA
SCHEMBL25782880 0.79 SMN1; SMN2 (0.37) TGM2MAPTTP53GAAMEN1
SCHEMBL25781762 0.78 MAPT (0.39) TGM2MAPTTP53GAAMEN1
SCHEMBL25781613 0.76 MAPT (0.45) MAPTTP53GAAMEN1CYP1A2

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-2023127783-A1 ELECTROPHOTOGRAPHIC PHOTORECEPTOR, ELECTROPHOTOGRAPHIC PHOTORECEPTOR CARTRIDGE, IMAGE FORMATION DEVICE, COATING LIQUID FOR FORMING ELECTROPHOTOGRAPHIC PHOTORECEPTOR PROTECTIVE LAYER, AND COMPOUND 三菱ケミカル株式会社 2023-07-06 WO disclosed