SCHEMBL30608462

SCHEMBL30608462

[2H]c1c([2H])c([2H])c2c(-c3cccc4oc5ccccc5c34)c3c([2H])c([2H])c([2H])c([2H])c3cc2c1[2H]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.35
▸ HPGD P15428 7/20 0.33
▸ KDM4E B2RXH2 6/20 0.33
▸ ALDH1A1 P00352 5/20 0.33
▸ MAPT P10636 5/20 0.33
▸ HSD17B10 Q99714 4/20 0.33
▸ MAOA P21397 3/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ GAA P10253 3/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ GLA P06280 1/20 0.33
▸ PGAM1 P18669 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ CASP7 P55210 1/20 0.33
▸ CDC14B O60729 1/20 0.33
▸ CDC14A Q9UNH5 1/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ AHR P35869 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33

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
SCHEMBL30608441 0.85 ALOX5 (0.48) ALOX5HPGDKDM4EALDH1A1MAPT
SCHEMBL30933211 0.84 MAOA (0.34) ALOX5HPGDKDM4EALDH1A1MAPT
SCHEMBL24178084 0.81 CES1 (0.49) ALOX5HPGDKDM4EALDH1A1MAPT
SCHEMBL30666021 0.81 CES1 (0.49) ALOX5HPGDKDM4EALDH1A1MAPT
SCHEMBL20363781 0.79 HPGD (0.46) ALOX5HPGDKDM4EALDH1A1MAPT
SCHEMBL30304159 0.78 DHFR (0.38) HPGDKDM4EALDH1A1HSD17B10GAA
SCHEMBL31018374 0.78 CDC14B (0.31) ALOX5CDC14BCDC14A
SCHEMBL30608458 0.77 MAPT (0.42) ALOX5HPGDKDM4EALDH1A1MAPT
SCHEMBL18382727 0.75 MAOA (0.33) ALOX5HPGDKDM4EALDH1A1MAPT
SCHEMBL30359565 0.75 MAOA (0.33) HPGDALDH1A1HSD17B10MAOACASP1

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-116547255-A Methods, reaction compositions, deuterated anthracene compounds, and compositions for preparing deuterated anthracene compounds 株式会社LG化学 2023-08-04 — — CN disclosed
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