SCHEMBL30744121

SCHEMBL30744121

COC(=O)C1CC(OCCOc2ccc(-c3cc(=O)c4cc(Br)cc(Cl)c4o3)cc2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 4/20 0.42
▸ HDAC3 O15379 1/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ CYSLTR1 Q9Y271 2/20 0.40
▸ CSNK2A2 P19784 3/20 0.39
▸ CSNK2B P67870 3/20 0.39
▸ CSNK2A1 P68400 3/20 0.39
▸ GABRP O00591 1/20 0.38
▸ GABRD O14764 1/20 0.38
▸ GABRA1 P14867 1/20 0.38
▸ GABRB1 P18505 1/20 0.38
▸ GABRG2 P18507 1/20 0.38
▸ GABRB3 P28472 1/20 0.38
▸ GABRA5 P31644 1/20 0.38
▸ GABRA3 P34903 1/20 0.38
▸ GABRA2 P47869 1/20 0.38
▸ GABRB2 P47870 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
SCHEMBL21801229 1.00 MAOB (0.42) MAOBHDAC3HDAC4HDAC1HDAC2
SCHEMBL21801126 0.90 MAOB (0.42) MAOBHDAC3HDAC4HDAC1HDAC2
SCHEMBL21801226 0.88 MAOB (0.41) MAOBHDAC3HDAC4HDAC1HDAC2
SCHEMBL21801185 0.88 MAOB (0.40) MAOBHDAC3HDAC4HDAC1HDAC2
SCHEMBL26680095 0.88 MAOB (0.41) MAOBHDAC3HDAC4HDAC1HDAC2
SCHEMBL30744124 0.86 HDAC3 (0.40) MAOBHDAC3HDAC4HDAC1HDAC2
SCHEMBL21801234 0.86 HDAC3 (0.40) MAOBHDAC3HDAC4HDAC1HDAC2
SCHEMBL21865727 0.86 ACHE (0.39) MAOBHDAC3HDAC4HDAC1HDAC2
SCHEMBL21801353 0.84 MAOB (0.37) MAOBHDAC3HDAC4HDAC1HDAC2
SCHEMBL21801232 0.83 MAOB (0.44) MAOBHDAC3HDAC4HDAC1HDAC2

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-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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