SCHEMBL7064419

SCHEMBL7064419

CCCCCCc1ccc(OC(=O)C(=O)Oc2ccc(CCCCCC)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 7/20 0.69
THRA P10827 6/20 0.69
ALDH1A1 P00352 4/20 0.56
ESR1 P03372 2/20 0.56
ADRA2A P08913 2/20 0.56
ADORA3 P0DMS8 2/20 0.56
TACR2 P21452 2/20 0.56
SLC6A2 P23975 2/20 0.56
SLC6A4 P31645 2/20 0.56
SLC6A3 Q01959 2/20 0.56
LMNA P02545 2/20 0.56
CYP3A4 P08684 2/20 0.56
KDM4E B2RXH2 1/20 0.56
SHBG P04278 1/20 0.56
TP53 P04637 1/20 0.56
HSPD1 P10809 1/20 0.56
ADRB3 P13945 1/20 0.56
HTR2C P28335 1/20 0.56
HSPE1 P61604 1/20 0.56
HIF1A Q16665 1/20 0.56

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
SCHEMBL29040659 1.00 THRB (0.69) THRBTHRAALDH1A1ESR1ADRA2A
SCHEMBL7063578 1.00 THRB (0.69) THRBTHRAALDH1A1ESR1ADRA2A
SCHEMBL7063197 0.98 THRB (0.71) THRBTHRAALDH1A1ESR1ADRA2A
SCHEMBL7065167 0.93 THRB (0.63) THRBTHRAALDH1A1HSD17B10RARB
SCHEMBL27990241 0.92 THRB (0.64) THRBTHRAALDH1A1ESR1ADRA2A
SCHEMBL27757519 0.92 THRB (0.64) THRBTHRAALDH1A1ESR1ADRA2A
SCHEMBL29040661 0.92 THRB (0.64) THRBTHRAALDH1A1ESR1ADRA2A
SCHEMBL17473027 0.89 THRB (0.69) THRBTHRAALDH1A1ESR1ADRA2A
SCHEMBL14938003 0.89 THRB (0.69) THRBTHRAALDH1A1ESR1ADRA2A
SCHEMBL1836715 0.89 THRB (0.69) THRBTHRAALDH1A1ESR1ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1013633-B1 Process for producing a diaryl carbonate UBE INDUSTRIES (JP) 2003-05-28 EP disclosed
EP-0795539-B1 Process for producing a diaryl carbonate UBE INDUSTRIES (JP) 2001-10-31 EP disclosed
EP-0814074-B1 PROCESS FOR PREPARING DIARYL ESTERS OF OXALIC ACID UBE INDUSTRIES (JP) 2001-03-28 EP disclosed
EP-1013633-A1 Process for producing a diaryl carbonate Ube Industries, Ltd. (JP) 2000-06-28 EP disclosed
US-6018072-A SUBJECTING AN ALKYLARYL OXALATE TO A DISPROPORTIONATION REACTION IN THE PRESENCE OF A DISPROPORTIONATION CATALYST TO PRODUCE A DIARYL OXALATE WHILE REMOVING A DIALKYL OXALATE BY-PRODUCT UBE INDUSTRIES, LTD. (JP) 2000-01-25 US disclosed
US-5811573-A Process for producing a diaryl carnonate UBE INDUSTRIES, LTD. (JP) 1998-09-22 US disclosed
US-5731453-A Process for producing a diaryl carbonate UBE INDUSTRIES, LTD. (JP) 1998-03-24 US disclosed
EP-0814074-A1 PROCESS FOR PREPARING DIARYL ESTERS OF OXALIC ACID UBE INDUSTRIES, LTD. (JP) 1997-12-29 EP disclosed
EP-0795539-A1 Process for producing a diaryl carbonate UBE INDUSTRIES LIMITED (JP) 1997-09-17 EP disclosed