SCHEMBL6963902

SCHEMBL6963902

COc1ccccc1COc1ccccc1-c1ccc(C(C)=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SYK P43405 6/20 0.52
ALDH1A1 P00352 3/20 0.52
AURKB Q96GD4 3/20 0.52
INCENP Q9NQS7 3/20 0.52
LMNA P02545 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.50
RXRA P19793 1/20 0.50
RXRB P28702 1/20 0.50
RXRG P48443 1/20 0.50
RXFP1 Q9HBX9 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
GAA P10253 1/20 0.48
MAOB P27338 3/20 0.48
ADRB2 P07550 1/20 0.47
HTT P42858 1/20 0.47
MAOA P21397 1/20 0.47

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
SCHEMBL12189290 0.84 L3MBTL1 (0.60) SYKALDH1A1AURKBINCENPLMNA
SCHEMBL2087592 0.83 MAOB (0.68) ALDH1A1LMNAL3MBTL1MEN1KMT2A
SCHEMBL6955580 0.78 ALDH1A1 (0.61) ALDH1A1LMNAL3MBTL1RXFP1MEN1
SCHEMBL9330680 0.77 ALDH1A1 (0.55) ALDH1A1LMNARXFP1MEN1KMT2A
SCHEMBL13460841 0.74 ABCB1 (0.53) ALDH1A1LMNAL3MBTL1MEN1KMT2A
SCHEMBL7865007 0.74 RXRA (0.54) ALDH1A1LMNAL3MBTL1RXRARXRB
SCHEMBL10783055 0.73 SMN1; SMN2 (0.53) ALDH1A1LMNAL3MBTL1GAAMAOB
SCHEMBL6959864 0.73 MAPT (0.57) ALDH1A1LMNAL3MBTL1KMT2AMAOB
SCHEMBL21246919 0.73 PTPRC (0.51) ALDH1A1LMNAL3MBTL1
SCHEMBL11448863 0.72 MAPT (0.71) ALDH1A1LMNAL3MBTL1KMT2AMAOB

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 4 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
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