SCHEMBL6698308

SCHEMBL6698308

CCOC(=O)C(OC(=O)CC(O)(CC(=O)OC(C(=O)OCC)(C(=O)OCC)C(=O)OCC)C(=O)OC(C(=O)OCC)(C(=O)OCC)C(=O)OCC)(C(=O)OCC)C(=O)OCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 3/20 0.38
THRB P10828 1/20 0.36
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
SOAT1 P35610 1/20 0.35
HTT P42858 1/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TRPA1 O75762 1/20 0.33
MAPT P10636 2/20 0.33
POLB P06746 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ABCB11 O95342 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL2420816 0.83 ALDH1A1 (0.48) KDM4EALDH1A1MGAMGAASI
SCHEMBL6698816 0.81 PKM (0.33) PKMKDM4EALDH1A1THRBSOAT1
SCHEMBL6698822 0.79 ALDH1A1 (0.33) PKMKDM4EALDH1A1THRBPOLB
Triethyl Citrate SCHEMBL901127 0.78 GAA (0.48) PKMKDM4EALDH1A1THRBMGAM
Triethyl Citrate SCHEMBL23465 0.78 GAA (0.48) PKMKDM4EALDH1A1THRBMGAM
Triethyl Citrate SCHEMBL28853817 0.77 GAA (0.43) PKMKDM4EALDH1A1THRBMGAM
Triethyl Citrate SCHEMBL29035980 0.76 GAA (0.46) PKMKDM4EALDH1A1THRBMGAM
Triethyl Citrate SCHEMBL28041956 0.76 GAA (0.46) PKMKDM4EALDH1A1THRBMGAM
Triethyl Citrate SCHEMBL6236671 0.76 GAA (0.46) PKMKDM4EALDH1A1THRBMGAM
Triethyl Citrate SCHEMBL14856311 0.76 GAA (0.46) PKMKDM4EALDH1A1THRBMGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040068059-A1 Aliphatic polyester copolymer and process for producing the same, biodegradable resin molding based on aliphatic polyester, and lactone-containing resin DAICEL CHEMICAL INDUSTRIES LTD. (JP) 2004-04-08 US claimed
EP-1354908-A1 ALIPHATIC POLYESTER COPOLYMER AND PROCESS FOR PRODUCING THE SAME, BIODEGRADABLE RESIN MOLDING BASED ON ALIPHATIC POLYESTER, AND LACTONE-CONTAINING RESIN DAICEL CHEMICAL INDUSTRIES, Ltd. (JP) 2003-10-22 EP claimed
US-20040068059-A1 Aliphatic polyester copolymer and process for producing the same, biodegradable resin molding based on aliphatic polyester, and lactone-containing resin DAICEL CHEMICAL INDUSTRIES LTD. (JP) 2004-04-08 US disclosed
EP-1354908-A1 ALIPHATIC POLYESTER COPOLYMER AND PROCESS FOR PRODUCING THE SAME, BIODEGRADABLE RESIN MOLDING BASED ON ALIPHATIC POLYESTER, AND LACTONE-CONTAINING RESIN DAICEL CHEMICAL INDUSTRIES, Ltd. (JP) 2003-10-22 EP disclosed