SCHEMBL21865652

SCHEMBL21865652

CO[C@H](O)C1CC(OCCOc2ccc(-c3cc(=O)c4cc(C5CC5)cc(Cl)c4o3)cc2)C1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 4/20 0.38
▸ CSNK2A2 P19784 1/20 0.37
▸ CSNK2B P67870 1/20 0.37
▸ CSNK2A1 P68400 1/20 0.37
▸ ACHE P22303 7/20 0.37
▸ BCHE P06276 5/20 0.37
▸ ABCB1 P08183 2/20 0.36
▸ ABCC1 P33527 1/20 0.36
▸ ABCG2 Q9UNQ0 1/20 0.36
▸ MAOA P21397 2/20 0.35
▸ SIGMAR1 Q99720 3/20 0.34
▸ CYP1A1 P04798 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP1B1 Q16678 1/20 0.34

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
SCHEMBL21865650 0.86 MAOB (0.38) MAOBCSNK2A2CSNK2BCSNK2A1ACHE
SCHEMBL21801226 0.86 MAOB (0.41) MAOBCSNK2A2CSNK2BCSNK2A1ACHE
SCHEMBL21801077 0.85 ABCB1 (0.38) MAOBCSNK2A2CSNK2BCSNK2A1BCHE
SCHEMBL26680673 0.77 SIGMAR1 (0.38) MAOBABCB1ABCC1ABCG2MAOA
SCHEMBL26680095 0.75 MAOB (0.41) MAOBCSNK2A2CSNK2BCSNK2A1ACHE
SCHEMBL21801229 0.74 MAOB (0.42) MAOBCSNK2A2CSNK2BCSNK2A1BCHE
SCHEMBL21801126 0.74 MAOB (0.42) MAOBCSNK2A2CSNK2BCSNK2A1BCHE
SCHEMBL30744121 0.74 MAOB (0.42) MAOBCSNK2A2CSNK2BCSNK2A1BCHE
SCHEMBL21801244 0.73 ABCG2 (0.42) MAOBABCB1ABCC1ABCG2MAOA
SCHEMBL21886453 0.72 ABCG2 (0.41) MAOBBCHEABCB1ABCC1ABCG2

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-2020053249-A1 FLAVONE COMPOUNDS 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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