SCHEMBL5012958

SCHEMBL5012958

CCc1ccc(OC(c2ccc(CC)cc2CC)C(CO)(CO)CO)c(CC)c1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.36
PPARG P37231 7/20 0.35
PPARD Q03181 7/20 0.35
PPARA Q07869 6/20 0.35
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
ALOX15 P16050 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.31

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
SCHEMBL5014104 0.81 GABRA1 (0.40) PPARGPPARA
SCHEMBL542764 0.79 HTT (0.38) PPARDPPARA
SCHEMBL5014115 0.78 GABRA1 (0.44) CYP2D6CYP2C19ALOX15
SCHEMBL9640517 0.77 HTT (0.41)
SCHEMBL10530256 0.75 GABRA1 (0.39) PPARGPPARDPPARA
Pyrophosphoric Acid SCHEMBL472731 0.75 S1PR1 (0.40)
SCHEMBL5017879 0.74 PPARG (0.33) PPARGPPARDPPARAALOX15
SCHEMBL12933654 0.69 TSHR (0.49) AKT1PPARGPPARDPPARAALOX15
SCHEMBL31666406 0.68 AKT1 (0.45) AKT1
SCHEMBL7514265 0.67 TRPA1 (0.42) AKT1ALOX15

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