SCHEMBL8585802

SCHEMBL8585802

COC1(OC(C)=O)CC=CC=C1c1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.32
HK2 P52789 1/20 0.32
MAPT P10636 2/20 0.32
ALDH1A1 P00352 1/20 0.32
PKM P14618 1/20 0.32
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
BACE1 P56817 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30
SCN1A P35498 1/20 0.30
SCN2A Q99250 1/20 0.30
SCN3A Q9NY46 1/20 0.30
KDM4E B2RXH2 1/20 0.30
HTT P42858 1/20 0.30
HSD17B10 Q99714 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL6269405 0.85 KDM4E (0.30) KDM4EHTTHSD17B10
SCHEMBL28916969 0.81 KMT2A (0.35) GAAMAPTALDH1A1NPSR1KDM4E
SCHEMBL28586739 0.81 SCN1A (0.36) GAAMAPTALDH1A1PKMSCN1A
SCHEMBL1001072 0.80
SCHEMBL28048789 0.80 GAA (0.33) GAAHK2MAPTALDH1A1PKM
SCHEMBL28589256 0.79 TSHR (0.38) GAAMAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL28581190 0.78 MAPT (0.39) GAAMAPTALDH1A1PKMKDM4E
SCHEMBL27774042 0.77
SCHEMBL7684826 0.75 USP2 (0.34) HK2ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL28796597 0.75 MAOB (0.32) MAPT

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-1998031697-A1 ARYL C-GLYCOSIDE COMPOUNDS AND SULFATED ESTERS THEREOF SANKYO COMPANY, LIMITED (JP) 1998-07-23 WO disclosed