SCHEMBL8325256

SCHEMBL8325256

CCCOc1ccc(C2C(=O)Oc3ccc(O)cc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
LTA4H P09960 1/20 0.44
GAA P10253 2/20 0.44
ESR1 P03372 13/20 0.43
ESR2 Q92731 13/20 0.43
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GLA P06280 1/20 0.40
HPGD P15428 1/20 0.40

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 0.95 ESR1 (0.47) ALDH1A1LTA4HGAAESR1ESR2
SCHEMBL13412705 0.92 NR5A1 (0.51) ALDH1A1LTA4HGAAESR1ESR2
SCHEMBL8705661 0.90 ALDH1A1 (0.47) ALDH1A1LTA4HGAAESR1ESR2
SCHEMBL9573808 0.87 GAA (0.44) ALDH1A1LTA4HGAAESR1ESR2
SCHEMBL9573819 0.84 GAA (0.45) ALDH1A1GAAESR1ESR2GLA
SCHEMBL8705625 0.83 ALDH1A1 (0.63) ALDH1A1GAAESR1ESR2MAPT
SCHEMBL8802445 0.81 GAA (0.54) ALDH1A1GAAESR1ESR2MAPT
SCHEMBL9726098 0.81 GAA (0.47) ALDH1A1GAAESR1ESR2MAPT
SCHEMBL8809032 0.81 GAA (0.49) ALDH1A1GAAESR1ESR2MAPT
SCHEMBL8707515 0.80 ALDH1A1 (0.47) ALDH1A1GAAESR1ESR2MAPT

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0605404-B1 Polycyclic dyes BASF AG (DE) 1999-12-08 EP disclosed
EP-0559345-B1 Polycyclic dyes BASF AG (DE) 1999-05-06 EP disclosed
US-5717112-A Benzofuranone and benzodifuranone compounds ZENECA LIMITED (GB) 1998-02-10 US disclosed
EP-0575056-B1 Preparation of polycyclic dyes BASF AG (DE) 1997-09-17 EP disclosed
US-5663371-A Process for preparing polycyclic dyes ZENECA LIMITED (GB) 1997-09-02 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-0502278-B1 Polycyclic dyes ZENECA LTD (GB) 1997-03-05 EP disclosed
EP-0673400-A1 POLYCYCLIC DYES BASF AKTIENGESELLSCHAFT (DE) 1995-09-27 EP disclosed
EP-0669922-A1 BENZOFURANONE AND BENZODIFURANTRIONE DERIVATIVES AND PROCESS FOR THE PREPARATION OF BENZODIFURANONES. ZENECA LTD (GB) 1995-09-06 EP disclosed
US-5189181-A Process for preparation 2,6-dihydrobenzo[1:26, 4:5-6]-difuran dyes IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-02-23 US disclosed
US-5183888-A Reacting a phenyl tartronic acid with a dihydrobenzofuran, oxidizing, to get dihydrobenzodifuran IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-02-02 US disclosed
EP-0502278-A1 Polycyclic dyes ZENECA LIMITED (GB) 1992-09-09 EP disclosed
US-5084580-A Aniline dyes for polyester fabrics to give green and blue color IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-01-28 US disclosed
EP-0182507-B1 HETERO-POLYCYCLIC DYESTUFFS, METHODS FOR THEIR PREPARATION AND THEIR USE IN COLOURATION OF TEXTILE MATERIALS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-12-04 EP disclosed
EP-0363034-A2 Polycyclic dyes ZENECA LIMITED (GB) 1990-04-11 EP disclosed
US-4916240-A Hetero-polycyclic aromatic compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-04-10 US disclosed
EP-0294029-A2 Hetero-polycyclic aromatic compounds ZENECA LIMITED (GB) 1988-12-07 EP disclosed
US-4680417-A 2.6-dioxo-2.6-dehydrobenzo[1:2-b,4:5-b]difurans IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-07-14 US disclosed
EP-0182507-A2 Hetero-polycyclic dyestuffs, methods for their preparation and their use in colouration of textile materials IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-05-28 EP disclosed