SCHEMBL28968720

SCHEMBL28968720

CC(C)(O)C(C)(C)O.OB(O)Oc1ccc2c3ccccc3c3ccccc3c2c1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.35
PTPN7 P35236 1/20 0.33
DUSP3 P51452 1/20 0.33
PTPN12 Q05209 1/20 0.33
PTPN22 Q9Y2R2 1/20 0.33
ALDH1A1 P00352 4/20 0.31
MAPT P10636 4/20 0.31
KDM4E B2RXH2 3/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
LMNA P02545 1/20 0.31
KMT2A Q03164 3/20 0.31
MEN1 O00255 2/20 0.31
HPGD P15428 2/20 0.31
HSD17B10 Q99714 2/20 0.31
PPARG P37231 1/20 0.31
NCOA2 Q15596 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
HTT P42858 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
SCHEMBL28099661 0.89 MAPT (0.35) KIF11ALDH1A1MAPTKDM4EL3MBTL1
SCHEMBL30575168 0.89 MAPT (0.35) KIF11ALDH1A1MAPTKDM4EL3MBTL1
SCHEMBL30463426 0.89 MAPT (0.35) KIF11ALDH1A1MAPTKDM4EL3MBTL1
SCHEMBL29211637 0.84 ALDH1A1 (0.41) ALDH1A1MAPTHPGDHSD17B10
SCHEMBL28069393 0.77 CA1 (0.38) ALDH1A1L3MBTL1LMNAKMT2AMEN1
SCHEMBL28996421 0.75 CYP3A4 (0.46) ALDH1A1LMNAHSD17B10
SCHEMBL30426879 0.74 MAOB (0.40) ALDH1A1MAPTKDM4ELMNAKMT2A
SCHEMBL28471083 0.73 ALDH1A1 (0.50) PTPN22ALDH1A1MAPTHPGDHSD17B10
SCHEMBL28667653 0.72 ESR2 (0.41) KDM4ELMNAKMT2AMEN1HPGD
SCHEMBL29141449 0.72 CA1 (0.48) MAPTLMNAKMT2AMEN1NPSR1

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
CN-115636819-A Luminescent material, application thereof and organic electroluminescent device comprising luminescent material 清华大学 2023-01-24 CN disclosed