SCHEMBL6955580

SCHEMBL6955580

COc1ccccc1COc1ccc(C(C)=O)cc1C

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.61
LMNA P02545 1/20 0.61
KMT2A Q03164 5/20 0.60
MEN1 O00255 4/20 0.60
POLB P06746 1/20 0.58
GAA P10253 3/20 0.57
RXFP1 Q9HBX9 2/20 0.57
ADRB2 P07550 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
MAPT P10636 1/20 0.56
ANO1 Q5XXA6 2/20 0.53
RECQL P46063 1/20 0.52
MAOB P27338 1/20 0.51
ANO2 Q9NQ90 1/20 0.51
SMN1; SMN2 Q16637 1/20 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
SCHEMBL385027 0.80 FFAR4 (0.62) ALDH1A1L3MBTL1MAPTMAOBSMN1; SMN2
SCHEMBL2087592 0.80 MAOB (0.68) ALDH1A1LMNAKMT2AMEN1POLB
SCHEMBL29783148 0.80 FFAR4 (0.62) ALDH1A1L3MBTL1MAPTMAOBSMN1; SMN2
SCHEMBL31003218 0.79 ALDH1A1 (0.56) ALDH1A1LMNAKMT2AMEN1POLB
SCHEMBL195793 0.79 ALDH1A1 (0.56) ALDH1A1LMNAKMT2AMEN1POLB
SCHEMBL6958801 0.78 SYK (0.71) ALDH1A1KMT2AMEN1
SCHEMBL6963902 0.78 SYK (0.52) ALDH1A1LMNAKMT2AMEN1GAA
SCHEMBL13144446 0.77 ABCB1 (0.60) MAPTRECQL
SCHEMBL6099631 0.77 KMT2A (0.59) ALDH1A1LMNAKMT2AMEN1POLB
SCHEMBL7595205 0.77 HIF1A (0.60) ALDH1A1LMNAKMT2AMEN1POLB

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 5 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-0729466-A1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1996-09-04 EP disclosed
WO-1995014014-A2 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1995-05-26 WO disclosed