SCHEMBL10698130

SCHEMBL10698130

CC(C)(C)c1cc(SC(Sc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)Sc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.63
MAPT P10636 2/20 0.63
HPN P05981 1/20 0.63
SIRT5 Q9NXA8 1/20 0.63
CA2 P00918 4/20 0.54
CA1 P00915 2/20 0.54
ALDH1A1 P00352 5/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
POLB P06746 1/20 0.52
TYR P14679 1/20 0.52
PTGS1 P23219 1/20 0.46
GAA P10253 3/20 0.42
HTT P42858 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 2/20 0.42
TSHR P16473 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
GALR3 O60755 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL646923 0.89 ALOX15 (0.61) ALOX15MAPTHPNSIRT5CA2
SCHEMBL9504462 0.89 ALOX15 (0.61) ALOX15MAPTHPNSIRT5CA2
SCHEMBL10694070 0.88 CYP2C9 (0.55) ALOX15MAPTHPNSIRT5CA2
SCHEMBL10503818 0.87 ALOX15 (0.63) ALOX15MAPTHPNSIRT5CA2
SCHEMBL11739235 0.86 ALOX15 (0.57) ALOX15MAPTHPNSIRT5CA2
SCHEMBL9852829 0.84 HPN (0.55) ALOX15MAPTHPNSIRT5CA2
SCHEMBL9769341 0.84 HPN (0.55) ALOX15MAPTHPNSIRT5CA2
SCHEMBL9550779 0.84 ALOX15 (0.55) ALOX15MAPTHPNSIRT5CA2
SCHEMBL9165330 0.84 HPN (0.55) ALOX15MAPTHPNSIRT5CA2
SCHEMBL9168124 0.84 HPN (0.55) ALOX15MAPTHPNSIRT5CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0255478-A1 Tris(substituted hydroxyphenyl-thio)trithioorthoesters CIBA-GEIGY AG (CH) 1988-02-03 EP claimed
EP-0255478-A1 Tris(substituted hydroxyphenyl-thio)trithioorthoesters CIBA-GEIGY AG (CH) 1988-02-03 EP disclosed
US-4659762-A Tris (substituted hydroxyphenylthio) trithioorthoester stabilizers for polymers CIBA-GEIGY CORPORATION (US) 1987-04-21 US disclosed