SCHEMBL30626965

SCHEMBL30626965

COc1cc(-c2cc(=O)c3ccc(F)cc3o2)ccc1C(C)C

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 8/20 0.66
▸ ABCB1 P08183 2/20 0.59
▸ CSNK2A2 P19784 4/20 0.56
▸ CSNK2B P67870 4/20 0.56
▸ CSNK2A1 P68400 4/20 0.56
▸ KDM4E B2RXH2 4/20 0.54
▸ CYP3A4 P08684 4/20 0.54
▸ HPGD P15428 4/20 0.54
▸ MAPK1 P28482 3/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ MEN1 O00255 3/20 0.54
▸ MAPT P10636 3/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ ALDH1A1 P00352 3/20 0.54
▸ HSD17B10 Q99714 3/20 0.54
▸ GLA P06280 1/20 0.54
▸ THRB P10828 1/20 0.54
▸ AR P10275 1/20 0.51
▸ CYP2D6 P10635 2/20 0.51
▸ CYP2C9 P11712 2/20 0.51

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
SCHEMBL30626952 0.91 GABRP (0.61) MAOBABCB1CSNK2A2CSNK2BCSNK2A1
SCHEMBL30626954 0.84 CYP3A4 (0.76) MAOBABCB1CSNK2A2CSNK2BCSNK2A1
SCHEMBL30626961 0.83 MAOB (0.62) MAOBCSNK2A2CSNK2BCSNK2A1KDM4E
SCHEMBL29114175 0.83 MAOB (0.62) MAOBCSNK2A2CSNK2BCSNK2A1KDM4E
SCHEMBL21641873 0.81 LCK (0.70) MAOBABCB1CSNK2A2CSNK2BCSNK2A1
SCHEMBL30674786 0.76 MAOB (1.00) MAOBABCB1CSNK2A2CSNK2BCSNK2A1
SCHEMBL9142214 0.76 MAOB (1.00) MAOBABCB1CSNK2A2CSNK2BCSNK2A1
7,3',4'-Trimethoxyflavone SCHEMBL987112 0.75 ABCB1 (1.00) MAOBABCB1CSNK2A2CSNK2BCSNK2A1
SCHEMBL29114166 0.73 GABRP (0.64) MAOBCSNK2A2CSNK2BCSNK2A1KDM4E
SCHEMBL4400168 0.73 FYN (0.81) MAOBABCB1CSNK2A2CSNK2BCSNK2A1

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-116947799-A Phenolic compound, preparation method and medical application thereof 上海泽德曼医药科技有限公司 2023-10-27 — — CN disclosed
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