SCHEMBL30744083

SCHEMBL30744083

O=C(O)[C@@H]1C[C@H]1OCCOc1ccc(-c2cc(=O)c3cccc(Cl)c3o2)cc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CYSLTR1 Q9Y271 3/20 0.45
▸ ABCB1 P08183 3/20 0.44
▸ BCHE P06276 2/20 0.41
▸ CNR2 P34972 2/20 0.41
▸ MAOB P27338 2/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ SIGMAR1 Q99720 2/20 0.40
▸ ALDH2 P05091 1/20 0.39
▸ MAOA P21397 1/20 0.39
▸ ABCG2 Q9UNQ0 1/20 0.38

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
SCHEMBL21801148 1.00 CYSLTR1 (0.45) CYSLTR1ABCB1BCHECNR2MAOB
SCHEMBL30744089 1.00 CYSLTR1 (0.45) CYSLTR1ABCB1BCHECNR2MAOB
SCHEMBL21801141 1.00 CYSLTR1 (0.45) CYSLTR1ABCB1BCHECNR2MAOB
SCHEMBL21865983 1.00 CYSLTR1 (0.45) CYSLTR1ABCB1BCHECNR2MAOB
SCHEMBL21801143 1.00 CYSLTR1 (0.45) CYSLTR1ABCB1BCHECNR2MAOB
SCHEMBL21886426 1.00 CYSLTR1 (0.45) CYSLTR1ABCB1BCHECNR2MAOB
SCHEMBL21801189 0.89 SIGMAR1 (0.45) CYSLTR1ABCB1BCHECNR2MAOB
SCHEMBL30744100 0.89 SIGMAR1 (0.45) CYSLTR1ABCB1BCHECNR2MAOB
SCHEMBL26672824 0.89 SIGMAR1 (0.45) CYSLTR1ABCB1BCHECNR2MAOB
SCHEMBL21801083 0.88 CYSLTR1 (0.45) CYSLTR1ABCB1BCHECNR2MAOB

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
CN-112601743-B Flavone compounds for the treatment and prevention of hepatitis b virus diseases 豪夫迈·罗氏有限公司 2023-12-19 — — CN claimed
CN-112601743-B Flavone compounds for the treatment and prevention of hepatitis b virus diseases 豪夫迈·罗氏有限公司 2023-12-19 — — CN disclosed
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