SCHEMBL8710118

SCHEMBL8710118

CCCOc1ccc(C2C(=O)Oc3cc4c(cc32)OC(=O)C4=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.39
MAPT P10636 4/20 0.38
ALDH1A1 P00352 3/20 0.38
GPR174 Q9BXC1 2/20 0.38
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA7 P43166 3/20 0.37
CA9 Q16790 3/20 0.37
CA12 O43570 2/20 0.37
CA14 Q9ULX7 2/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
MAOB P27338 3/20 0.36
MAOA P21397 1/20 0.35
TP53 P04637 1/20 0.35
KDM4E B2RXH2 2/20 0.34
GLA P06280 2/20 0.34
HPGD P15428 2/20 0.34
MAPK1 P28482 2/20 0.34

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
SCHEMBL8710451 0.91 ALDH1A1 (0.41) GAAMAPTALDH1A1GPR174CA1
SCHEMBL8710560 0.84 MAPT (0.44) GAAMAPTALDH1A1MAOBMAOA
SCHEMBL8704453 0.81 GAA (0.40) GAAMAPTALDH1A1GPR174MAOB
SCHEMBL8710310 0.80 GAA (0.56) GAAMAPTALDH1A1MAOBMAOA
SCHEMBL1685239 0.79 GAA (0.56) GAAMAPTALDH1A1MAOBTP53
SCHEMBL8325256 0.78 ALDH1A1 (0.46) GAAMAPTALDH1A1GLAHPGD
SCHEMBL8804803 0.75 GAA (0.49) GAAMAPTALDH1A1KDM4EHPGD
SCHEMBL8710767 0.73 GAA (0.53) GAAMAPTALDH1A1MAOBMAOA
SCHEMBL8705954 0.73 ESR1 (0.47) GAAMAPTALDH1A1GLAHPGD
SCHEMBL3261989 0.72 LMNA (0.46) GAAGPR174TP53TSHRMEN1

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