SCHEMBL30629627

SCHEMBL30629627

O=C(O)C1CC(OCCOc2ccc(-c3oc4c(Cl)cccc4c(=O)c3Br)cc2)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ TTR P02766 3/20 0.35
▸ ERAP1 Q9NZ08 2/20 0.33
▸ CYSLTR1 Q9Y271 2/20 0.33
▸ HPGD P15428 2/20 0.32
▸ GLA P06280 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ KCNA3 P22001 1/20 0.32
▸ ACSL3 O95573 1/20 0.31
▸ ACSL1 P33121 1/20 0.31
▸ ACSL6 Q9UKU0 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ S1PR1 P21453 3/20 0.31
▸ S1PR5 Q9H228 1/20 0.31
▸ PRKAB2 O43741 2/20 0.31
▸ PRKAG1 P54619 2/20 0.31
▸ PRKAA2 P54646 2/20 0.31
▸ PRKAA1 Q13131 2/20 0.31
▸ PRKAG3 Q9UGI9 2/20 0.31

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
SCHEMBL21801082 1.00 TDP1 (0.36) TDP1L3MBTL1TTRERAP1CYSLTR1
SCHEMBL30629637 0.91 TDP1 (0.38) TDP1L3MBTL1TTRCYSLTR1HPGD
SCHEMBL21801074 0.91 TDP1 (0.38) TDP1L3MBTL1TTRCYSLTR1HPGD
SCHEMBL21801132 0.90 CSNK2A2 (0.41) TDP1L3MBTL1TTRCYSLTR1HPGD
SCHEMBL21801129 0.90 CSNK2A2 (0.41) TDP1L3MBTL1TTRCYSLTR1HPGD
SCHEMBL30744119 0.90 TDP1 (0.36) TDP1L3MBTL1HPGDALDH1A1KDM4E
SCHEMBL21801066 0.90 TDP1 (0.36) TDP1L3MBTL1HPGDALDH1A1KDM4E
SCHEMBL21866050 0.89 TDP1 (0.34) TDP1L3MBTL1ERAP1CYSLTR1KCNA3
SCHEMBL21801199 0.88 ABCG2 (0.43) TDP1L3MBTL1CYSLTR1HPGDALDH1A1
SCHEMBL21801198 0.88 ABCG2 (0.43) TDP1L3MBTL1CYSLTR1HPGDALDH1A1

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 3 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
EP-3849966-B1 FLAVONE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE HOFFMANN LA ROCHE (CH) 2023-10-25 — — EP disclosed
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