SCHEMBL28551995

SCHEMBL28551995

C=C(C)C(=O)OC(COC)COc1ccc(N=Nc2c(O)ccc(C(=O)c3ccccc3)c2O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
KDM4E B2RXH2 4/20 0.41
ALOX15 P16050 4/20 0.41
HPGD P15428 4/20 0.41
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 3/20 0.41
RECQL P46063 2/20 0.41
MEN1 O00255 1/20 0.37
ALOX12 P18054 1/20 0.37
KMT2A Q03164 1/20 0.37
ELANE P08246 1/20 0.36
MAPK1 P28482 2/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 2/20 0.36
CYP1A2 P05177 1/20 0.36
PGR P06401 1/20 0.36
CYP2D6 P10635 1/20 0.36
SLC6A2 P23975 1/20 0.36
PDE4A P27815 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL28536500 0.89 PTGES (0.38) MAPTKDM4EALOX15HPGDALDH1A1
SCHEMBL28534095 0.85 HPGD (0.38) MAPTKDM4EALOX15HPGDALDH1A1
SCHEMBL28542654 0.83 MAPT (0.42) MAPTKDM4EALOX15HPGDALDH1A1
SCHEMBL28542765 0.82 MAPT (0.38) MAPTKDM4EALOX15HPGDALDH1A1
SCHEMBL28538615 0.81 HPGD (0.39) MAPTKDM4EALOX15HPGDALDH1A1
SCHEMBL28739745 0.80 AR (0.37) MAPTHPGDALDH1A1KMT2AELANE
SCHEMBL28542708 0.79 NR1H4 (0.35) MAPTKDM4EHPGDALDH1A1HSD17B10
SCHEMBL2018313 0.78 HPGD (0.54) MAPTKDM4EALOX15HPGDALDH1A1
SCHEMBL28547118 0.77 MAPT (0.39) MAPTKDM4EALOX15HPGDALDH1A1
SCHEMBL373331 0.77 PPARG (0.38) MAPTKDM4EALOX15HPGDALDH1A1

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-110382628-B Polymerizable dye compound, preparation method, polymer containing dye and application 东莞东阳光医疗智能器件研发有限公司 2021-03-02 CN disclosed