SCHEMBL30626952

SCHEMBL30626952

COc1cc(-c2cc(=O)c3cc(F)ccc3o2)ccc1C(C)C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRP O00591 5/20 0.61
▸ GABRD O14764 5/20 0.61
▸ GABRA1 P14867 5/20 0.61
▸ GABRB1 P18505 5/20 0.61
▸ GABRG2 P18507 5/20 0.61
▸ GABRB3 P28472 5/20 0.61
▸ GABRA5 P31644 5/20 0.61
▸ GABRA3 P34903 5/20 0.61
▸ GABRA2 P47869 5/20 0.61
▸ GABRB2 P47870 5/20 0.61
▸ GABRA4 P48169 5/20 0.61
▸ GABRE P78334 5/20 0.61
▸ GABRA6 Q16445 5/20 0.61
▸ GABRG1 Q8N1C3 5/20 0.61
▸ GABRG3 Q99928 5/20 0.61
▸ GABRQ Q9UN88 5/20 0.61
▸ FYN P06241 1/20 0.57
▸ CSNK2A2 P19784 8/20 0.56
▸ CSNK2B P67870 8/20 0.56
▸ CSNK2A1 P68400 8/20 0.56

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
SCHEMBL30626965 0.91 MAOB (0.66) FYNCSNK2A2CSNK2BCSNK2A1KDM4E
SCHEMBL30626954 0.84 CYP3A4 (0.76) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL29114166 0.83 GABRP (0.64) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL13169617 0.80 MAOB (0.80) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL12941168 0.75 GABRP (0.72) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL12941864 0.75 MAPT (0.84) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL31238437 0.74 MAPT (0.78) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL30626961 0.73 MAOB (0.62) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL29114175 0.73 MAOB (0.62) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL18613228 0.73 FYN (1.00) FYNCSNK2A2CSNK2BCSNK2A1ESR2

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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