SCHEMBL8710767

SCHEMBL8710767

Cc1cccc(C2C(=O)Oc3cc4c(cc32)OC(=O)C4=O)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.53
ALDH1A1 P00352 3/20 0.39
ALDH2 P05091 1/20 0.39
CYP19A1 P11511 2/20 0.38
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
PBRM1 Q86U86 1/20 0.33
MAPT P10636 2/20 0.32
ADORA2A P29274 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAOB P27338 3/20 0.32
MAOA P21397 1/20 0.32

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
SCHEMBL8710310 0.86 GAA (0.56) GAAALDH1A1ALDH2CYP19A1ALOX15
SCHEMBL1685239 0.85 GAA (0.56) GAAALDH1A1ALDH2CYP19A1MEN1
SCHEMBL8805318 0.82 GAA (0.50) GAAALDH1A1ALDH2KMT2APBRM1
SCHEMBL8804803 0.79 GAA (0.49) GAAALDH1A1MEN1KMT2AMAPT
SCHEMBL8710560 0.78 MAPT (0.44) GAAALDH1A1CYP19A1ALOX15ALOX12
SCHEMBL20630832 0.77 GAA (0.66) GAAALDH1A1ALDH2CYP19A1ALOX15
SCHEMBL8710568 0.76 GAA (0.63) GAAALDH1A1ALDH2CYP19A1ALOX15
SCHEMBL8710451 0.75 ALDH1A1 (0.41) GAAALDH1A1MEN1KMT2AMAPT
SCHEMBL8704453 0.75 GAA (0.40) GAAALDH1A1ALDH2MEN1KMT2A
SCHEMBL8710118 0.73 GAA (0.39) GAAALDH1A1MEN1KMT2AMAPT

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