SCHEMBL9545816

SCHEMBL9545816

CC(=O)c1ccc(OCc2cccc(C)c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 16/20 1.00
MAOA P21397 4/20 0.72
NR1H4 Q96RI1 1/20 0.60
ALDH1A1 P00352 1/20 0.58
HTT P42858 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
PTPRC P08575 1/20 0.57
PTPN1 P18031 1/20 0.57
PARP10 Q53GL7 1/20 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
SCHEMBL13951781 0.88 MAOB (0.78) MAOBNR1H4SMN1; SMN2PTPRCPTPN1
SCHEMBL15296747 0.85 MAOB (0.74) MAOBMAOANR1H4ALDH1A1SMN1; SMN2
SCHEMBL26104661 0.85 MAOB (0.74) MAOBMAOANR1H4SMN1; SMN2PTPRC
SCHEMBL22480782 0.84 MRGPRX4 (0.76) MAOBMAOASMN1; SMN2
SCHEMBL2088282 0.84 MAOB (1.00) MAOBMAOAPARP10
SCHEMBL7374178 0.84 MAOB (0.72) MAOBMAOAALDH1A1HTTSMN1; SMN2
SCHEMBL27488702 0.83 MAOB (0.71) MAOBMAOANR1H4SMN1; SMN2PTPRC
SCHEMBL42302 0.82 MAOB (1.00) MAOBMAOAALDH1A1HTTSMN1; SMN2
SCHEMBL10866245 0.82 MAOB (0.69) MAOBMAOANR1H4
SCHEMBL257781 0.82 MAOB (0.69) MAOBMAOA

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
WO-1993022299-A1 FUNGICIDAL OXAZOLIDINONES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-11-11 WO disclosed