SCHEMBL28576015

SCHEMBL28576015

CCCCc1ccc(-c2cc(=O)c3c(C)cc(C)cc3o2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSNK2A2 P19784 2/20 0.53
▸ CSNK2B P67870 2/20 0.53
▸ CSNK2A1 P68400 2/20 0.53
▸ ADORA3 P0DMS8 2/20 0.50
▸ QPCT Q16769 1/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ MAPT P10636 3/20 0.47
▸ TP53 P04637 2/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.43
▸ HTT P42858 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ AR P10275 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ CCNC P24863 1/20 0.42
▸ CDK8 P49336 1/20 0.42
▸ MAOB P27338 2/20 0.41

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
SCHEMBL28568538 0.78 CYP3A4 (0.72) CSNK2A2CSNK2BCSNK2A1ADORA3SMN1; SMN2
SCHEMBL13479744 0.77 CSNK2A2 (0.64) CSNK2A2CSNK2BCSNK2A1ADORA3QPCT
SCHEMBL20664412 0.76 ADORA3 (0.76) CSNK2A2CSNK2BCSNK2A1ADORA3SMN1; SMN2
SCHEMBL23100152 0.75 MAOB (0.46) SMN1; SMN2MAPTTP53ALDH1A1MAOB
SCHEMBL28660357 0.73 EIF4A1 (0.52) —
SCHEMBL28588026 0.72 CYP3A4 (0.62) CSNK2A2CSNK2BCSNK2A1ADORA3SMN1; SMN2
SCHEMBL28256218 0.72 PLA2G2A (0.64) ADORA3SMN1; SMN2MAPTTP53CYP3A4
SCHEMBL28914421 0.70 GABRP (0.57) CSNK2A2CSNK2BCSNK2A1ADORA3QPCT
SCHEMBL21860491 0.70 S1PR1 (0.41) MAOB
SCHEMBL13598259 0.69 CSNK2A2 (0.51) CSNK2A2CSNK2BCSNK2A1ADORA3QPCT

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-112939917-B Preparation method of flavonoid compound 中山大学 2023-08-22 — — CN disclosed
CN-112939917-A Preparation method of flavonoid compound 中山大学 2021-06-11 — — CN disclosed
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