SCHEMBL5014073

SCHEMBL5014073

CC(C)(C)OC(=O)CCSCCC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.56
KMT2A Q03164 1/20 0.56
HSD17B10 Q99714 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
TSHR P16473 3/20 0.41
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
PLA2G4B P0C869 4/20 0.37
KDM6B O15054 1/20 0.36
KDM5C P41229 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
PHF8 Q9UPP1 1/20 0.36
KDM2A Q9Y2K7 1/20 0.36
CYP2C19 P33261 1/20 0.36
BHMT Q93088 6/20 0.35
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL5014070 0.92 HDAC1 (0.43) LMNAKMT2AHSD17B10TDP1TSHR
SCHEMBL8546872 0.86 MAPT (0.41) LMNAKMT2AHSD17B10TDP1TSHR
SCHEMBL22615683 0.84 TDP1 (0.40) LMNAKMT2AHSD17B10TDP1HDAC3
SCHEMBL23895832 0.83 HDAC1 (0.51) LMNATDP1TSHRHDAC3HDAC1
SCHEMBL23768553 0.82 HDAC3 (0.38) LMNAKMT2AHSD17B10TDP1HDAC3
SCHEMBL16538729 0.82 BHMT (0.46) LMNAKMT2AHSD17B10TDP1TSHR
SCHEMBL13892879 0.82 TSHR (0.42) LMNAKMT2AHSD17B10TDP1TSHR
SCHEMBL1584894 0.81 CYP2D6 (0.44) LMNAKMT2AHSD17B10TDP1TSHR
SCHEMBL631111 0.81 EGLN1 (0.48) LMNATSHRHDAC3HDAC1HDAC2
SCHEMBL11703587 0.80 KMT2A (0.47) LMNAKMT2AHSD17B10TDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019070208-A1 ANTIOXIDANT COMPOSITION THAI PLASTIC AND CHEMICALS PUBLIC CO., LTD. (TH) 2019-04-11 WO disclosed
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