SCHEMBL5014490

SCHEMBL5014490

CC(C)CCCCCc1cc(CCCCCC(C)C)c(OP(Oc2c(CCCCCC(C)C)cc(CCCCCC(C)C)cc2CCCCCC(C)C)Oc2c(CCCCCC(C)C)cc(CCCCCC(C)C)cc2CCCCCC(C)C)c(CCCCCC(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FUT7 Q11130 1/20 0.44
HIF1A Q16665 1/20 0.32
EPAS1 Q99814 1/20 0.32
GRIN2D O15399 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
POLB P06746 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 1/20 0.30
BLM P54132 1/20 0.30
PMP22 Q01453 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
HTR1A P08908 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
SCHEMBL5014067 0.81 HTT (0.40) FUT7GRIN2DGRIN2AGRIN2BGRIN2C
SCHEMBL10470047 0.75 FUT7 (0.34) FUT7HIF1AEPAS1
SCHEMBL7949634 0.73 GRIN2D (0.36) FUT7HIF1AEPAS1GRIN2DGRIN2A
SCHEMBL11678011 0.72 FUT7 (0.42) FUT7HIF1AEPAS1GRIN2DGRIN2A
SCHEMBL10937045 0.72 ADRB2 (0.43) HIF1AEPAS1BCHE
SCHEMBL10774318 0.70 TUBB4A (0.54) FUT7MEN1CYP1A2POLBCYP3A4
SCHEMBL8396852 0.70 FUT7 (0.43) FUT7HIF1AEPAS1GRIN2DGRIN2A
SCHEMBL31655445 0.70 GABRA1 (0.47) FUT7ALOX5NFKB1NFKB2RELA
SCHEMBL5017832 0.70 ALDH1A1 (0.34) CYP3A4ALOX5
SCHEMBL8465007 0.69 GABRA1 (0.50) GRIN2DGRIN2AGRIN2BGRIN2CMEN1

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