Anthraquinone

Anthraquinone

SCHEMBL28110119

CCCCOC(=O)OCCCC.O=C1c2ccccc2C(=O)c2ccccc21

nearest known ligand 0.64

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 5/20 0.64
TSHR P16473 5/20 0.56
TDP1 Q9NUW8 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
MAPK1 P28482 3/20 0.50
CYP3A4 P08684 2/20 0.50
TP53 P04637 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ALDH1A1 P00352 4/20 0.49
HSD17B10 Q99714 1/20 0.49
LMNA P02545 2/20 0.49
FGFR1 P11362 1/20 0.47
FGFR2 P21802 1/20 0.47
FGFR4 P22455 1/20 0.47
FGFR3 P22607 1/20 0.47
PTPN1 P18031 1/20 0.45
ESR1 P03372 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45

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
Anthraquinone SCHEMBL28110120 0.88 ELANE (0.55) ELANETSHRTDP1L3MBTL1MAPK1
Anthraquinone SCHEMBL11703673 0.82 TSHR (0.67) ELANETSHRTDP1L3MBTL1MAPK1
Phenol SCHEMBL2362180 0.80 TSHR (0.59) ELANETSHRTDP1L3MBTL1MAPK1
SCHEMBL29212757 0.79 ELANE (0.50) ELANETSHRTDP1L3MBTL1MAPK1
SCHEMBL5154230 0.79 TSHR (0.65) ELANETSHRTDP1L3MBTL1MAPK1
SCHEMBL14890742 0.78 TSHR (0.51) ELANETSHRTDP1L3MBTL1MAPK1
Anthraquinone SCHEMBL27601272 0.78 MEN1 (0.63) L3MBTL1MAPK1MEN1KMT2AALDH1A1
SCHEMBL37837 0.78 ALDH1A1 (0.67) TSHRTDP1L3MBTL1MAPK1ALDH1A1
SCHEMBL30739446 0.78 TSHR (0.55) ELANETSHRTDP1L3MBTL1MAPK1
SCHEMBL18680587 0.78 TSHR (0.47) ELANETSHRTDP1L3MBTL1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107003570-A Liquid crystal represents element 日产化学工业株式会社 2017-08-01 CN disclosed
CN-107003571-A Liquid crystal represents element 日产化学工业株式会社 2017-08-01 CN disclosed
CN-106462011-A Liquid crystal display element, liquid crystal alignment film, and liquid crystal alignment treatment agent 日产化学工业株式会社 2017-02-22 CN disclosed