SCHEMBL5014587

SCHEMBL5014587

CC(C)COC(=O)CCSCCC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.52
LMNA P02545 1/20 0.52
KMT2A Q03164 1/20 0.52
HSD17B10 Q99714 1/20 0.52
TSHR P16473 6/20 0.38
BHMT Q93088 4/20 0.37
MAPT P10636 1/20 0.36
PLA2G4B P0C869 2/20 0.36
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
KDM6B O15054 1/20 0.34
KDM5C P41229 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
PHF8 Q9UPP1 1/20 0.34
KDM2A Q9Y2K7 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP2C19 P33261 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
EPHX2 P34913 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
SCHEMBL5014586 0.92 TSHR (0.42) TDP1LMNAKMT2AHSD17B10TSHR
SCHEMBL18133674 0.85 TSHR (0.37) TDP1LMNAKMT2AHSD17B10TSHR
SCHEMBL14996174 0.84 TSHR (0.42) TDP1LMNAKMT2ATSHRMAPT
SCHEMBL846984 0.82 EGLN1 (0.45) TDP1LMNATSHRMAPTPOLB
SCHEMBL8411504 0.81 TSHR (0.34) TDP1TSHRBHMTMAPTPOLB
SCHEMBL409033 0.79 MAPT (0.52) TDP1LMNAKMT2ATSHRMAPT
SCHEMBL5016265 0.79 LMNA (0.58) TDP1LMNAKMT2AHSD17B10TSHR
SCHEMBL1515417 0.79 TSHR (0.54) TDP1LMNAKMT2ATSHRMAPT
Glutarate SCHEMBL28926850 0.79 TSHR (0.48) TDP1LMNATSHRMAPTPOLB
SCHEMBL26439680 0.79 TSHR (0.41) TDP1LMNAKMT2ATSHRMAPT

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
EP-1947725-A2 Polymer electrolyte composition and fuel cell Sumitomo Chemical Company, Limited (JP) 2008-07-23 EP disclosed
EP-1289041-B1 Polymer electrolyte composition and fuel cell SUMITOMO CHEMICAL CO (JP) 2008-03-12 EP disclosed
US-20060257706-A1 POLYMER ELECTROLYTE COMPOSITION AND FUEL CELL HIDAKA YASUAKI 2006-11-16 US disclosed
US-20030113605-A1 Polymer electrolyte composition and fuel cell SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-06-19 US disclosed
EP-1289041-A2 Polymer electrolyte composition and fuel cell SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-03-05 EP disclosed