SCHEMBL1685239

SCHEMBL1685239

O=C1Oc2cc3c(cc2C1=O)OC(=O)C3c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.56
CYP3A4 P08684 2/20 0.37
MAPT P10636 2/20 0.37
MAPK1 P28482 2/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
HTR2B P41595 1/20 0.37
ALDH1A1 P00352 4/20 0.34
ALDH2 P05091 1/20 0.34
ESR2 Q92731 2/20 0.33
ESR1 P03372 1/20 0.33
HSD17B10 Q99714 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31

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 0.87 GAA (0.56) GAAMAPTLMNAALDH1A1ALDH2
SCHEMBL8710767 0.85 GAA (0.53) GAAMAPTLMNAALDH1A1ALDH2
SCHEMBL8710560 0.84 MAPT (0.44) GAACYP3A4MAPTMAPK1LMNA
SCHEMBL8710451 0.81 ALDH1A1 (0.41) GAACYP3A4MAPTMAPK1LMNA
SCHEMBL8704453 0.81 GAA (0.40) GAACYP3A4MAPTMAPK1LMNA
SCHEMBL8804803 0.79 GAA (0.49) GAAMAPTALDH1A1MEN1KMT2A
SCHEMBL8710118 0.79 GAA (0.39) GAAMAPTMAPK1TP53ALDH1A1
SCHEMBL8805318 0.76 GAA (0.50) GAAMAPTCYP1A2ALDH1A1ALDH2
SCHEMBL501810 0.73 GAA (0.65) GAACYP3A4MAPTMAPK1LMNA
SCHEMBL27973276 0.72 MEN1 (0.58) GAACYP3A4MAPTMAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1799774-B1 DISPERSE DYE MIXTURES DYSTAR COLOURS DEUTSCHLAND (DE) 2011-04-06 EP disclosed
US-7416591-B2 Disperse dye mixtures DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2008-08-26 US disclosed
US-20080022894-A1 Benzo[1,2-b;4,5-b']difuran-2,6-dione derivatives; anthraquinone and monoazo dyes; black shade; synthetic textile material or fiber blend thereof is a polyester, polyester-cellulose, polyester-nylon, polyesterurethane or polyester-wool blend; ink jet printing DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2008-01-31 US disclosed
EP-1799774-A2 DISPERSE DYE MIXTURES DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 2007-06-27 EP disclosed
WO-2006037792-A2 DISPERSE DYE MIXTURES DYSTAR TEXTILFARBEN GMBH & CO DEUTSCHLAND KG (DE) 2006-04-13 WO disclosed
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