SCHEMBL9847668

SCHEMBL9847668

CC1(C)OCC[C@@H](CSc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)O1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPN P05981 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
SIRT5 Q9NXA8 1/20 0.39
ALDH1A1 P00352 4/20 0.33
GAA P10253 2/20 0.33
KDM4E B2RXH2 2/20 0.33
CA2 P00918 2/20 0.33
CA1 P00915 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
POLB P06746 1/20 0.32
TYR P14679 1/20 0.32
VCAM1 P19320 3/20 0.32
PTGS1 P23219 2/20 0.32
PTGS2 P35354 1/20 0.32
TDP1 Q9NUW8 2/20 0.31
HTT P42858 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
GALR3 O60755 1/20 0.31

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
SCHEMBL9621762 0.88 HPN (0.37) HPNMAPTALOX15SIRT5ALDH1A1
SCHEMBL8530578 0.77 ALOX15 (0.49) HPNMAPTALOX15SIRT5ALDH1A1
SCHEMBL9736493 0.76 VCAM1 (0.37) HPNMAPTALOX15SIRT5ALDH1A1
SCHEMBL9868139 0.74 VCAM1 (0.33) HPNMAPTALOX15SIRT5ALDH1A1
SCHEMBL9868145 0.73 VCAM1 (0.36) HPNMAPTALOX15SIRT5GAA
SCHEMBL9735816 0.68 HPN (0.39) HPNMAPTALOX15SIRT5ALDH1A1
SCHEMBL5574415 0.67 ALOX15 (0.45) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL5692187 0.66 ALOX15 (0.63) HPNMAPTALOX15SIRT5ALDH1A1
SCHEMBL646924 0.66 ALOX15 (0.63) HPNMAPTALOX15SIRT5ALDH1A1
SCHEMBL10817343 0.65 MAPT (0.61) HPNMAPTALOX15SIRT5ALDH1A1

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-0414206-A2 2,4,6-Substituted phenol derivatives SHIONOGI & CO., LTD. (JP) 1991-02-27 EP disclosed