SCHEMBL7264486

SCHEMBL7264486

CCCCCCCCCCc1cc(Sc2cc(CCCCCCCCCC)c(O)cc2C)c(C)cc1O.CCc1cc(O)c(C(C)(C)C)cc1Sc1cc(C(C)(C)C)c(O)cc1CC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.57
ALOX15 P16050 3/20 0.57
ALDH1A1 P00352 3/20 0.57
CYP3A4 P08684 2/20 0.57
TSHR P16473 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
MAPK1 P28482 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
HIF1A Q16665 1/20 0.57
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MEN1 O00255 3/20 0.39
MAPT P10636 3/20 0.39
HTT P42858 3/20 0.39
KMT2A Q03164 3/20 0.39
TYR P14679 2/20 0.39
ALOX5 P09917 1/20 0.39
KDM4E B2RXH2 3/20 0.34
NOD2 Q9HC29 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
SCHEMBL31267398 0.86 ALOX15 (0.50) TP53ALOX15ALDH1A1CYP3A4TSHR
SCHEMBL14303453 0.86 MAPK1 (0.42) TP53ALOX15ALDH1A1CYP3A4TSHR
SCHEMBL2479859 0.84 ALOX5 (0.51) TP53ALOX15ALDH1A1CYP3A4TSHR
SCHEMBL2484244 0.84 ALOX5 (0.51) TP53ALOX15ALDH1A1CYP3A4TSHR
SCHEMBL9746117 0.84 ALOX5 (0.51) TP53ALOX15ALDH1A1CYP3A4TSHR
SCHEMBL9744765 0.84 ALOX5 (0.51) TP53ALOX15ALDH1A1CYP3A4TSHR
SCHEMBL2477818 0.80 ALOX15 (0.53) TP53ALOX15ALDH1A1CYP3A4TSHR
SCHEMBL12733100 0.80 ALOX15 (0.53) TP53ALOX15ALDH1A1CYP3A4TSHR
SCHEMBL8749642 0.80 ALOX15 (0.53) TP53ALOX15ALDH1A1CYP3A4TSHR
SCHEMBL9850166 0.80 ALOX15 (0.53) TP53ALOX15ALDH1A1CYP3A4TSHR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1289041-A2 Polymer electrolyte composition and fuel cell SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-03-05 EP disclosed