SCHEMBL5016284

SCHEMBL5016284

CCC(C)OC(=O)CCSCCC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.50
KMT2A Q03164 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
PLA2G4B P0C869 2/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 2/20 0.37
BHMT Q93088 4/20 0.36
EPHX2 P34913 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA13 Q8N1Q1 1/20 0.35

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
SCHEMBL5016283 0.93 EPHX2 (0.38) LMNAKMT2AHSD17B10TDP1MAPT
SCHEMBL12314656 0.87 LMNA (0.39) LMNAKMT2AHSD17B10TDP1MAPT
SCHEMBL18431843 0.85 TSHR (0.39) LMNAMAPTTSHREPHX2CA12
SCHEMBL5016268 0.83 LMNA (0.56) LMNAKMT2AHSD17B10TDP1PLA2G4B
SCHEMBL644570 0.83 EGLN1 (0.43) LMNAMAPTALDH1A1TSHREPHX2
Butane SCHEMBL2861696 0.79 LMNA (0.41) LMNAKMT2AHSD17B10TDP1ALDH1A1
SCHEMBL26220867 0.79 EPHX2 (0.38) LMNAMAPTALDH1A1EPHX2CA12
SCHEMBL791222 0.79 LMNA (0.50) LMNAKMT2AHSD17B10TDP1MAPT
SCHEMBL793167 0.79 TSHR (0.52) LMNAKMT2AHSD17B10TDP1ALDH1A1
SCHEMBL645070 0.78 CA12 (0.45) LMNAMAPTALDH1A1TSHREPHX2

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