SCHEMBL5016273

SCHEMBL5016273

CC(OC(=O)CCSCCC(=O)O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
FFAR1 O14842 1/20 0.47
CYP2C19 P33261 1/20 0.46
KDM4E B2RXH2 1/20 0.45
HCAR2 Q8TDS4 1/20 0.45
KMT2A Q03164 2/20 0.42
HSD17B10 Q99714 2/20 0.42
LMNA P02545 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PLA2G4B P0C869 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAP2K7 O14733 1/20 0.39
CDC25A P30304 1/20 0.39
CDC25B P30305 1/20 0.39
LPAR1 Q92633 1/20 0.39
TSHR P16473 1/20 0.38
CYSLTR2 Q9NS75 3/20 0.38
CYSLTR1 Q9Y271 3/20 0.38
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.36

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
SCHEMBL5016272 0.95 MAPT (0.54) MAPTFFAR1CYP2C19KDM4EHCAR2
SCHEMBL4251848 0.85 FFAR1 (0.53) MAPTFFAR1CYP2C19KDM4EHCAR2
SCHEMBL21626578 0.85 FFAR1 (0.53) MAPTFFAR1CYP2C19KDM4EHCAR2
SCHEMBL11461421 0.84 HCAR2 (0.56) MAPTFFAR1KDM4EHCAR2KMT2A
SCHEMBL19182 0.83 FFAR1 (0.50) MAPTFFAR1CYP2C19KDM4EHCAR2
SCHEMBL31290469 0.82 MAPT (0.45) MAPTFFAR1KDM4EHCAR2KMT2A
SCHEMBL27884835 0.81 FFAR1 (0.49) MAPTFFAR1KDM4EHCAR2LMNA
SCHEMBL1054349 0.80 HCAR2 (0.53) MAPTFFAR1CYP2C19KDM4EHCAR2
SCHEMBL6242067 0.79 HCAR2 (0.51) MAPTFFAR1KDM4EHCAR2KMT2A
SCHEMBL5693685 0.79 HCAR2 (0.51) MAPTFFAR1KDM4EHCAR2KMT2A

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