SCHEMBL6965429

SCHEMBL6965429

COC(=O)c1ccccc1COc1ccc(C(C)=O)cc1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 12/20 0.65
MAOA P21397 3/20 0.63
ALDH1A1 P00352 2/20 0.52
LMNA P02545 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
HTT P42858 1/20 0.52
PTPRC P08575 1/20 0.50
PTPN1 P18031 1/20 0.50
MAPT P10636 1/20 0.50
RAB9A P51151 1/20 0.50

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
SCHEMBL6158837 0.87 ALDH1A1 (0.54) MAOBMAOAALDH1A1LMNAPTPRC
SCHEMBL31123658 0.86 ALDH1A1 (0.60) ALDH1A1LMNASMN1; SMN2PTPRCPTPN1
SCHEMBL15286510 0.85 ALDH1A1 (0.51) MAOBALDH1A1LMNAL3MBTL1SMN1; SMN2
SCHEMBL3134818 0.84 SLC6A3 (0.52) MAOBALDH1A1LMNAL3MBTL1SMN1; SMN2
SCHEMBL5989500 0.84 NPC1 (0.56) ALDH1A1LMNAL3MBTL1SMN1; SMN2HTT
SCHEMBL7820018 0.83 MAPT (0.61) MAOBMAOAALDH1A1LMNAL3MBTL1
SCHEMBL13870529 0.82 OPRL1 (0.50) ALDH1A1LMNASMN1; SMN2PTPN1MAPT
SCHEMBL9450116 0.81 HIF1A (0.69) MAOBMAOAALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL30746040 0.81 HIF1A (0.69) MAOBMAOAALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL3995720 0.81 TSHR (0.50) ALDH1A1LMNASMN1; SMN2MAPT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0729465-B1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE DAVIS & CO (US) 2003-01-22 EP disclosed
US-6005103-A TREATMENT OF BACTERIAL AND VIRAL INFECTIONS AND DISEASES, INCLUDING AIDS WARNER-LAMBERT COMPANY (US) 1999-12-21 US disclosed
US-5808062-A AIDS THERAPY WARNER-LAMBERT COMPANY (US) 1998-09-15 US disclosed
EP-0729465-A1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1996-09-04 EP disclosed
EP-0729466-A1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1996-09-04 EP disclosed
WO-1995014013-A1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1995-05-26 WO disclosed
WO-1995014014-A2 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1995-05-26 WO disclosed