SCHEMBL21886432

SCHEMBL21886432

O=CC1CC(OCCOc2ccc(-c3oc4c(Cl)cccc4c(=O)c3Cl)cc2)C1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ DRD2 P14416 1/20 0.32
▸ MAOB P27338 1/20 0.32
▸ ABCG2 Q9UNQ0 3/20 0.31
▸ ABCC1 P33527 1/20 0.31
▸ TERT O14746 1/20 0.31
▸ KCNA3 P22001 1/20 0.31
▸ ABCB1 P08183 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
SCHEMBL21801074 0.87 TDP1 (0.38) ADORA3TDP1L3MBTL1TERTKCNA3
SCHEMBL30629637 0.87 TDP1 (0.38) ADORA3TDP1L3MBTL1TERTKCNA3
SCHEMBL21801122 0.84 TDP1 (0.37) ADORA3TDP1L3MBTL1
SCHEMBL21866050 0.79 TDP1 (0.34) TDP1L3MBTL1MAOBABCG2ABCC1
SCHEMBL21801132 0.79 CSNK2A2 (0.41) TDP1L3MBTL1ABCG2ABCB1
SCHEMBL21801129 0.79 CSNK2A2 (0.41) TDP1L3MBTL1ABCG2ABCB1
SCHEMBL21801082 0.78 TDP1 (0.36) TDP1L3MBTL1KCNA3
SCHEMBL30629627 0.78 TDP1 (0.36) TDP1L3MBTL1KCNA3
SCHEMBL21886767 0.78 CSNK2A2 (0.41) MAOBABCG2
SCHEMBL21865634 0.77 ABCB1 (0.43) MAOBABCG2ABCC1ABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3849966-B1 FLAVONE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE HOFFMANN LA ROCHE (CH) 2023-10-25 — — EP disclosed
WO-2020052774-A1 FLAVONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2020-03-19 — — WO disclosed
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