SCHEMBL8710451

SCHEMBL8710451

CCOc1ccc(C2C(=O)Oc3cc4c(cc32)OC(=O)C4=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 4/20 0.40
GAA P10253 3/20 0.40
USP2 O75604 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPT P10636 4/20 0.38
LMNA P02545 3/20 0.38
TDP1 Q9NUW8 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HTT P42858 2/20 0.38
NSD2 O96028 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP1A2 P05177 3/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GPR174 Q9BXC1 1/20 0.36
ESR1 P03372 1/20 0.36
CYP3A4 P08684 1/20 0.35

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
SCHEMBL8710118 0.91 GAA (0.39) ALDH1A1KDM4EGAAHSD17B10MAPT
SCHEMBL8710560 0.86 MAPT (0.44) ALDH1A1KDM4EGAAMAPTLMNA
SCHEMBL8704453 0.83 GAA (0.40) ALDH1A1KDM4EGAAHSD17B10MAPT
SCHEMBL8710310 0.82 GAA (0.56) ALDH1A1KDM4EGAAMAPTLMNA
SCHEMBL1685239 0.81 GAA (0.56) ALDH1A1KDM4EGAAHSD17B10MAPT
SCHEMBL29612322 0.78 MAPT (0.49) ALDH1A1KDM4EGAAUSP2HSD17B10
SCHEMBL9191296 0.78 GAA (0.64) ALDH1A1KDM4EGAAUSP2HSD17B10
SCHEMBL8804803 0.77 GAA (0.49) ALDH1A1KDM4EGAAMAPTL3MBTL1
SCHEMBL8705661 0.77 ALDH1A1 (0.47) ALDH1A1KDM4EGAAMAPTL3MBTL1
SCHEMBL8710767 0.75 GAA (0.53) ALDH1A1GAAMAPTLMNATDP1

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
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
WO-1994012501-A1 BENZOFURANONE AND BENZODIFURANTRIONE DERIVATIVES AND PROCESS FOR THE PREPARATION OF BENZODIFURANONES ZENECA LIMITED (GB) 1994-06-09 WO disclosed