SCHEMBL29522907

SCHEMBL29522907

[2H]c1c([2H])c([2H])c(-c2ccc3oc4cccc(-c5c6ccccc6c(-c6c([2H])c([2H])c([2H])c([2H])c6[2H])c6ccccc56)c4c3c2)c([2H])c1[2H]

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2A P14555 5/20 0.35
▸ PLA2G4A P47712 5/20 0.35
▸ PLA2G10 O15496 1/20 0.35
▸ ALOX5 P09917 1/20 0.34
▸ CASP3 P42574 1/20 0.33
▸ SENP7 Q9BQF6 1/20 0.33
▸ SENP6 Q9GZR1 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ HSP90AB1 P08238 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ MAOA P21397 1/20 0.30
▸ AHR P35869 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
SCHEMBL18382828 0.95 PLA2G2A (0.40) PLA2G2APLA2G4APLA2G10ALOX5CASP3
SCHEMBL18382831 0.95 PLA2G2A (0.40) PLA2G2APLA2G4APLA2G10ALOX5CASP3
SCHEMBL31630368 0.90 HCRTR1 (0.33) ALOX5KDM4EMEN1NPC1ALDH1A1
SCHEMBL18382806 0.89 PLA2G2A (0.37) PLA2G2APLA2G4APLA2G10ALOX5CASP3
SCHEMBL18382832 0.88 ALDH1A1 (0.34) ALOX5CASP3SENP7SENP6ALDH1A1
SCHEMBL18382705 0.88 PLA2G2A (0.40) PLA2G2APLA2G4APLA2G10ALOX5CASP3
SCHEMBL18382682 0.87 BACE1 (0.35) ALOX5KDM4EALDH1A1MAPTHPGD
SCHEMBL18382818 0.86 MAOA (0.35) PLA2G2APLA2G4APLA2G10ALOX5CASP3
SCHEMBL29991103 0.86 HCRTR1 (0.33) PLA2G2APLA2G4APLA2G10ALOX5KDM4E
SCHEMBL18382756 0.86 ALOX5 (0.40) PLA2G2APLA2G4APLA2G10ALOX5CASP3

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-114026147-A Polycyclic aromatic compound 学校法人关西学院 2022-02-08 — — CN disclosed
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