SCHEMBL2477818

SCHEMBL2477818

CCCCc1cc(O)c(C(C)(C)C)cc1Sc1cc(C(C)(C)C)c(O)cc1CCCC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 7/20 0.53
TP53 P04637 4/20 0.53
ALDH1A1 P00352 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
CYP3A4 P08684 3/20 0.53
MAPK1 P28482 2/20 0.53
TSHR P16473 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
HIF1A Q16665 2/20 0.53
MAPT P10636 3/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP1A2 P05177 1/20 0.44
ATP2A2 P16615 1/20 0.44
ATP2A3 Q93084 1/20 0.44
CYP2C9 P11712 3/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2D6 P10635 1/20 0.42
TYR P14679 3/20 0.41
HPN P05981 1/20 0.37
SIRT5 Q9NXA8 1/20 0.37

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
SCHEMBL31267398 0.94 ALOX15 (0.50) ALOX15TP53ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL2483068 0.90 ALOX15 (0.56) ALOX15TP53ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL29517048 0.84 ALOX15 (0.61) ALOX15TP53ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL2484931 0.84 ALOX15 (0.61) ALOX15TP53ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL30320332 0.83 ALOX15 (0.56) ALOX15TP53ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL9297525 0.83 TYR (0.48) ALOX15TP53ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL9744241 0.82 ALOX5 (0.39) ALOX15TP53ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL9744248 0.82 TP53 (0.39) ALOX15TP53ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL28365844 0.81 ALOX15 (0.48) ALOX15TP53ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL7264486 0.80 TP53 (0.57) ALOX15TP53ALDH1A1SMN1; SMN2CYP3A4

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