SCHEMBL5016265

SCHEMBL5016265

CCOC(=O)CCSCCC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.58
TDP1 Q9NUW8 2/20 0.58
KMT2A Q03164 2/20 0.58
HSD17B10 Q99714 1/20 0.58
CYP1A2 P05177 1/20 0.45
MGAM O43451 1/20 0.44
GAA P10253 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
ALDH1A1 P00352 7/20 0.43
TSHR P16473 3/20 0.43
HTT P42858 1/20 0.42
MAPT P10636 3/20 0.41
PLA2G4B P0C869 1/20 0.41
TRPA1 O75762 1/20 0.41
KDM4E B2RXH2 3/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 2/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
GLA P06280 1/20 0.38

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
SCHEMBL111821 0.91 GAA (0.52) LMNATDP1KMT2AHSD17B10CYP1A2
SCHEMBL8599182 0.89 TSHR (0.56) LMNATDP1KMT2AHSD17B10CYP1A2
SCHEMBL8603687 0.86 TSHR (0.46) LMNATDP1KMT2AHSD17B10CYP1A2
SCHEMBL15360326 0.85 CYP1A2 (0.47) LMNATDP1KMT2AHSD17B10CYP1A2
SCHEMBL5014579 0.84 LMNA (0.54) LMNATDP1KMT2AHSD17B10ALDH1A1
SCHEMBL13901847 0.83 TDP1 (0.48) LMNATDP1KMT2ACYP1A2MGAM
SCHEMBL10973191 0.83 CYP1A2 (0.45) LMNATDP1KMT2AHSD17B10CYP1A2
SCHEMBL15948648 0.83 CYP1A2 (0.48) LMNATDP1KMT2AHSD17B10CYP1A2
SCHEMBL8506009 0.83 CYP1A2 (0.48) LMNATDP1KMT2AHSD17B10CYP1A2
SCHEMBL283994 0.82 GAA (0.52) LMNATDP1KMT2AHSD17B10CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105556377-B Spectacle material, spectacle frame and spectacles 三井化学株式会社 2017-03-01 CN 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-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
US-4523024-A STABILIZERS FOR ORGANIC MATERIALS SENSITIVE TO HEAT, LIGHT, AND/OR OXIDATIVE FACTORS KURARAY CO., LTD. (JP) 1985-06-11 US disclosed
EP-0113042-A2 3,4-Dihydro-2H-benzopyran derivatives, a method of producing them, a method of using them as stabilizers for organic materials, and organic compositions containing such stabilizers KURARAY CO., LTD. (JP) 1984-07-11 EP disclosed