SCHEMBL30744085

SCHEMBL30744085

O=C(O)C1CC(OCCOc2ccc(-c3cc(=O)c4cccc(Cl)c4o3)cc2Br)C1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.39
▸ CYSLTR1 Q9Y271 1/20 0.36
▸ CSNK2A2 P19784 1/20 0.35
▸ CSNK2B P67870 1/20 0.35
▸ CSNK2A1 P68400 1/20 0.35

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
SCHEMBL21801145 1.00 SIGMAR1 (0.39) SIGMAR1CYSLTR1CSNK2A2CSNK2BCSNK2A1
SCHEMBL21801142 1.00 SIGMAR1 (0.39) SIGMAR1CYSLTR1CSNK2A2CSNK2BCSNK2A1
SCHEMBL30629641 0.92 SIGMAR1 (0.41) SIGMAR1CYSLTR1CSNK2A2CSNK2BCSNK2A1
SCHEMBL21801157 0.92 SIGMAR1 (0.41) SIGMAR1CYSLTR1CSNK2A2CSNK2BCSNK2A1
SCHEMBL21801155 0.92 SIGMAR1 (0.41) SIGMAR1CYSLTR1CSNK2A2CSNK2BCSNK2A1
SCHEMBL21801253 0.91 CSNK2A2 (0.37) SIGMAR1CSNK2A2CSNK2BCSNK2A1
SCHEMBL21801217 0.90 SIGMAR1 (0.39) SIGMAR1CYSLTR1
SCHEMBL21801211 0.90 SIGMAR1 (0.39) SIGMAR1
SCHEMBL21801254 0.90 SIGMAR1 (0.39) SIGMAR1CYSLTR1
SCHEMBL22231164 0.89 ABCB1 (0.46) SIGMAR1CSNK2A2CSNK2BCSNK2A1

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
Send feedback