SCHEMBL5014104

SCHEMBL5014104

CCCc1ccc(OC(c2ccc(CCC)cc2CCC)C(CO)(CO)CO)c(CCC)c1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 7/20 0.40
GABRB2 P47870 7/20 0.40
ALOX5 P09917 2/20 0.40
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
ACACB O00763 2/20 0.31
PPARG P37231 2/20 0.31
PPARA Q07869 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
SCHEMBL542764 0.90 HTT (0.38) PPARA
SCHEMBL28602349 0.89 HTT (0.42)
SCHEMBL9640517 0.88 HTT (0.41)
Pyrophosphoric Acid SCHEMBL472731 0.82 S1PR1 (0.40)
SCHEMBL5012958 0.81 AKT1 (0.36) PPARGPPARA
SCHEMBL5013003 0.81 FUT7 (0.34) PPARGPPARA
SCHEMBL5014115 0.76 GABRA1 (0.44) GABRA1GABRB2
SCHEMBL472730 0.75 S1PR1 (0.41)
SCHEMBL997214 0.71 S1PR1 (0.40)
SCHEMBL10530256 0.70 GABRA1 (0.39) GABRA1GABRB2ALOX5CNR1CNR2

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