SCHEMBL6864703

SCHEMBL6864703

CCC1(CC)CC2(CC(C)(C)N1OC(C)c1ccc(OCC3CO3)cc1)OCC(C)(OC(=O)OC)CO2

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.32
PKM P14618 2/20 0.32
TP53 P04637 2/20 0.30
MAPT P10636 2/20 0.30
HPGD P15428 2/20 0.30
TSHR P16473 2/20 0.30
ALDH1A1 P00352 2/20 0.30
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
KMT2A Q03164 1/20 0.30
PPARG P37231 1/20 0.30
HIF1A Q16665 1/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
GRM2 Q14416 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
SCHEMBL6872267 0.93 PKM (0.35) ACACBPKMTP53MAPTHPGD
SCHEMBL975071 0.89 PKM (0.32) ACACBPKMTP53MAPTHPGD
SCHEMBL6875358 0.89 FFAR1 (0.33) ACACBPKMTP53MAPTHPGD
SCHEMBL6871203 0.88 GRM2 (0.33) ACACBPKMTP53MAPTHPGD
SCHEMBL6872742 0.87
SCHEMBL974403 0.87 TP53 (0.35) PKMTP53MAPTHPGDTSHR
SCHEMBL12922168 0.87 TP53 (0.35) PKMTP53MAPTHPGDTSHR
SCHEMBL976517 0.86 TP53 (0.34) PKMTP53MAPTHPGDTSHR
SCHEMBL975037 0.86 TP53 (0.34) PKMTP53MAPTHPGDTSHR
SCHEMBL975818 0.86 TP53 (0.33) PKMTP53MAPTHPGDTSHR

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