SCHEMBL2481101

SCHEMBL2481101

CCCCCC(C)(C)c1cc(Sc2cc(C(C)(C)CCCCC)c(O)cc2C)c(C)cc1O

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.58
ALOX15 P16050 2/20 0.58
ALDH1A1 P00352 1/20 0.58
CYP3A4 P08684 1/20 0.58
TSHR P16473 1/20 0.58
MAPK1 P28482 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
HIF1A Q16665 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
CNR1 P21554 14/20 0.43
CNR2 P34972 14/20 0.43
ESR1 P03372 2/20 0.37
ESR2 Q92731 2/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
AR P10275 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
SCHEMBL24489858 0.85 ALOX15 (0.73) TP53ALOX15ALDH1A1CYP3A4TSHR
SCHEMBL127402 0.84 CNR1 (0.47) TP53ALOX15CNR1CNR2ESR1
SCHEMBL9744248 0.82 TP53 (0.39) TP53ALOX15ALDH1A1CYP3A4TSHR
SCHEMBL2480786 0.82 ALOX15 (0.68) TP53ALOX15ALDH1A1CYP3A4TSHR
SCHEMBL5157322 0.82 CNR1 (0.43) TP53ALOX15ALDH1A1CYP3A4TSHR
SCHEMBL126588 0.82 CNR1 (0.49) ALOX15ALDH1A1SMN1; SMN2CNR1CNR2
SCHEMBL9351488 0.81 ALOX15 (0.45) TP53ALOX15ALDH1A1CYP3A4TSHR
SCHEMBL11796460 0.81 CNR2 (0.46) TP53ALOX15ALDH1A1CYP3A4TSHR
SCHEMBL2481099 0.81 ALOX15 (0.66) TP53ALOX15ALDH1A1CYP3A4TSHR
SCHEMBL9335370 0.80 CNR1 (0.51) ALOX15ALDH1A1SMN1; SMN2CNR1CNR2

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-B1 Polymer electrolyte composition and fuel cell SUMITOMO CHEMICAL CO (JP) 2011-10-19 EP disclosed
EP-1947725-A2 Polymer electrolyte composition and fuel cell Sumitomo Chemical Company, Limited (JP) 2008-07-23 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