SCHEMBL6865025

SCHEMBL6865025

CC(ON1C(C)(C)CC2(CC1(C)C)OCC(C)(C(=O)O)CO2)c1ccc(OCC2CO2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.36
GRM2 Q14416 1/20 0.36
MAPT P10636 3/20 0.36
TP53 P04637 2/20 0.36
HPGD P15428 2/20 0.36
TSHR P16473 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PKM P14618 2/20 0.36
CYP1A2 P05177 1/20 0.36
PPARG P37231 1/20 0.36
HIF1A Q16665 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
FFAR1 O14842 6/20 0.33
ACACB O00763 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
FGFR1 P11362 1/20 0.31
SRC P12931 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
SCHEMBL6874267 0.93 TDP1 (0.36) TDP1GRM2MAPTTP53HPGD
SCHEMBL6871203 0.93 GRM2 (0.33) TDP1GRM2MAPTTP53HPGD
SCHEMBL975501 0.92 PKM (0.35) TDP1GRM2MAPTTP53HPGD
SCHEMBL974405 0.89 ALDH1A1 (0.39) TDP1GRM2MAPTTP53HPGD
SCHEMBL12922174 0.89 ALDH1A1 (0.39) TDP1GRM2MAPTTP53HPGD
SCHEMBL978636 0.87 TP53 (0.36) TDP1GRM2MAPTTP53HPGD
SCHEMBL7110426 0.87 TP53 (0.38) TDP1GRM2MAPTTP53HPGD
SCHEMBL975816 0.87 GRM2 (0.34) TDP1GRM2MAPTTP53HPGD
SCHEMBL6872267 0.87 PKM (0.35) TDP1GRM2MAPTTP53HPGD
SCHEMBL977193 0.87 ALDH1A1 (0.40) TDP1GRM2MAPTTP53HPGD

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-1341763-B1 N-ALKOXY-4,4-DIOXY-POLYALKYL-PIPERIDINE COMPOUNDS, WITH GLYCIDYL OR ALKYLCARBONYL GROUPS AS FUNCTIONAL INITIATORS FOR CONTROLLED RADICAL POLYMERIZATION CIBA SC HOLDING AG (CH) 2004-06-16 EP claimed