SCHEMBL5013003

SCHEMBL5013003

CC(C)CCCCCc1ccc(OC(c2ccc(CCCCCC(C)C)cc2CCCCCC(C)C)C(CO)(CO)CO)c(CCCCCC(C)C)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FUT7 Q11130 1/20 0.34
GRIN2D O15399 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
HTT P42858 3/20 0.31
MAPT P10636 2/20 0.31
MAPK1 P28482 2/20 0.31
APAF1 O14727 1/20 0.31
THRB P10828 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
NPSR1 Q6W5P4 2/20 0.31
NPC1 O15118 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
RAD52 P43351 1/20 0.31
CYP1A2 P05177 1/20 0.30
POLB P06746 1/20 0.30
CYP3A4 P08684 1/20 0.30

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
SCHEMBL9640517 0.88 HTT (0.41) HTTMAPTMAPK1APAF1THRB
SCHEMBL28602349 0.87 HTT (0.42) HTTMAPTMAPK1APAF1THRB
SCHEMBL542764 0.86 HTT (0.38) HTTMAPTMAPK1APAF1THRB
SCHEMBL5014104 0.81 GABRA1 (0.40) PPARAPPARG
Pyrophosphoric Acid SCHEMBL472731 0.78 S1PR1 (0.40) HTTMAPTMAPK1APAF1THRB
SCHEMBL5014115 0.76 GABRA1 (0.44) L3MBTL1CYP2D6TSHRCYP2C19
SCHEMBL5014067 0.73 HTT (0.40) FUT7GRIN2DGRIN2AGRIN2BGRIN2C
SCHEMBL5012958 0.73 AKT1 (0.36) CYP2D6CYP2C19PPARDPPARAPPARG
SCHEMBL472730 0.72 S1PR1 (0.41)
SCHEMBL7949634 0.71 GRIN2D (0.36) FUT7GRIN2DGRIN2AGRIN2BGRIN2C

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