SCHEMBL8705661

SCHEMBL8705661

CCOc1ccc(C2C(=O)Oc3ccc(O)cc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
GAA P10253 1/20 0.46
ESR1 P03372 6/20 0.44
MAPT P10636 2/20 0.43
MAPK1 P28482 1/20 0.43
LTA4H P09960 1/20 0.42
HPGD P15428 2/20 0.41
GLA P06280 1/20 0.41
ESR2 Q92731 5/20 0.41
ALDH2 P05091 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
QPCT Q16769 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
CES2 O00748 1/20 0.38

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
SCHEMBL8705954 0.90 ESR1 (0.47) ALDH1A1GAAESR1MAPTLTA4H
SCHEMBL8325256 0.90 ALDH1A1 (0.46) ALDH1A1GAAESR1MAPTLTA4H
SCHEMBL13412705 0.87 NR5A1 (0.51) ALDH1A1GAAESR1MAPTLTA4H
SCHEMBL9573819 0.86 GAA (0.45) ALDH1A1GAAESR1HPGDGLA
SCHEMBL9191296 0.86 GAA (0.64) ALDH1A1GAAESR1MAPTMAPK1
SCHEMBL8705625 0.85 ALDH1A1 (0.63) ALDH1A1GAAESR1MAPTHPGD
SCHEMBL9428158 0.83 GAA (0.41) ALDH1A1GAAESR1HPGDGLA
SCHEMBL8802445 0.83 GAA (0.54) ALDH1A1GAAESR1MAPTHPGD
SCHEMBL8809032 0.83 GAA (0.49) ALDH1A1GAAESR1MAPTMAPK1
SCHEMBL8707515 0.82 ALDH1A1 (0.47) ALDH1A1GAAESR1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5717112-A Benzofuranone and benzodifuranone compounds ZENECA LIMITED (GB) 1998-02-10 US disclosed
EP-0669922-B1 BENZOFURANONES, BENZODIFURANTRIONES AND PROCESSES FOR THE PREPARATION OF BENZODIFURANDIONES BASF AG (DE) 1997-08-20 EP disclosed
US-5625080-A Benzodifurantrione compounds and process ZENECA LIMITED (GB) 1997-04-29 US disclosed
EP-0669922-A1 BENZOFURANONE AND BENZODIFURANTRIONE DERIVATIVES AND PROCESS FOR THE PREPARATION OF BENZODIFURANONES. ZENECA LTD (GB) 1995-09-06 EP disclosed
US-5367008-A 3-(alkoxyphenyl)benzofuran-2-ones as stabilisers CIBA-GEIGY CORPORATION (US) 1994-11-22 US disclosed
WO-1994012501-A1 BENZOFURANONE AND BENZODIFURANTRIONE DERIVATIVES AND PROCESS FOR THE PREPARATION OF BENZODIFURANONES ZENECA LIMITED (GB) 1994-06-09 WO disclosed