SCHEMBL2480786

SCHEMBL2480786

CCC(C)(C)c1cc(Sc2cc(C(C)(C)CC)c(O)cc2C)c(C)cc1O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 4/20 0.68
TP53 P04637 3/20 0.68
ALDH1A1 P00352 2/20 0.68
SMN1; SMN2 Q16637 2/20 0.68
CYP3A4 P08684 1/20 0.68
TSHR P16473 1/20 0.68
MAPK1 P28482 1/20 0.68
HIF1A Q16665 1/20 0.68
TDP1 Q9NUW8 1/20 0.68
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ESR1 P03372 8/20 0.35
ESR2 Q92731 5/20 0.35
AR P10275 3/20 0.35
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.34
ATP2A2 P16615 1/20 0.34
ATP2A3 Q93084 1/20 0.34

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
SCHEMBL1398405 0.85 ALOX15 (0.47) ALOX15TP53ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL2481099 0.84 ALOX15 (0.66) ALOX15TP53ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL19121014 0.83 ALOX15 (0.43) ALOX15TP53ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL24489858 0.82 ALOX15 (0.73) ALOX15TP53ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL2481101 0.82 TP53 (0.58) ALOX15TP53ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL39505 0.81 ALOX15 (1.00) ALOX15TP53ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL31295681 0.81 ALOX15 (1.00) ALOX15TP53ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL29366086 0.81 ALOX15 (1.00) ALOX15TP53ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL8861305 0.81 ALOX15 (0.44) ALOX15TP53ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL9352375 0.81 ALOX15 (0.42) 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 6 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
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