SCHEMBL9868145

SCHEMBL9868145

CC(C)(C)OC(=O)C[C@H]1C[C@@H](CSc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)OC(C)(C)O1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 11/20 0.36
MIF P14174 1/20 0.35
HPN P05981 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
SIRT5 Q9NXA8 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
GAA P10253 1/20 0.31
PKM P14618 1/20 0.31
HTT P42858 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PTGS1 P23219 1/20 0.30
CPT1B Q92523 1/20 0.30

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
SCHEMBL9736493 0.87 VCAM1 (0.37) VCAM1HPNMAPTALOX15SIRT5
SCHEMBL6872581 0.73 MIF (0.33) MIF
SCHEMBL9847668 0.73 HPN (0.39) VCAM1HPNMAPTALOX15SIRT5
SCHEMBL6125270 0.73 MIF (0.34) MIF
SCHEMBL22043547 0.73 CYP1A2 (0.39) MIF
SCHEMBL7720760 0.73 MIF (0.34) MIF
SCHEMBL5728730 0.73 MIF (0.34) MIF
SCHEMBL9453175 0.73 MIF (0.34) MIF
SCHEMBL247199 0.73 MIF (0.34) MIF
SCHEMBL26086445 0.72 ALDH1A1 (0.39) MAPTALOX15GAAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3215452-A None JP disclosed
JP-H03215452-A 2,4,6-SUBSTITUTED PHENOL DERIVATIVE SHIONOGI & CO LTD 1991-09-20 JP disclosed