SCHEMBL7110426

SCHEMBL7110426

[CH2]C1(C)COC2(CC(C)(C)N(OC(C)c3ccc(OCC4CO4)cc3)C(C)(C)C2)OC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.38
TSHR P16473 3/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HIF1A Q16665 2/20 0.38
CYP1A2 P05177 1/20 0.38
PPARG P37231 1/20 0.38
TDP1 Q9NUW8 1/20 0.36
PKM P14618 2/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
GRM2 Q14416 1/20 0.34
CYP3A4 P08684 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HRH3 Q9Y5N1 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
SCHEMBL7041222 0.93 TP53 (0.34) TP53TSHRALDH1A1MAPTHPGD
SCHEMBL974405 0.92 ALDH1A1 (0.39) TP53TSHRALDH1A1MAPTHPGD
SCHEMBL12922174 0.92 ALDH1A1 (0.39) TP53TSHRALDH1A1MAPTHPGD
SCHEMBL974715 0.89 ALDH1A1 (0.40) TP53TSHRALDH1A1MAPTHPGD
SCHEMBL977193 0.89 ALDH1A1 (0.40) TP53TSHRALDH1A1MAPTHPGD
SCHEMBL977824 0.89 TP53 (0.37) TP53TSHRALDH1A1MAPTHPGD
SCHEMBL974683 0.89 TP53 (0.37) TP53TSHRALDH1A1MAPTHPGD
SCHEMBL976626 0.89 ALDH1A1 (0.40) TP53TSHRALDH1A1MAPTHPGD
SCHEMBL978636 0.88 TP53 (0.36) TP53TSHRALDH1A1MAPTHPGD
SCHEMBL975153 0.88 TP53 (0.38) TP53TSHRALDH1A1MAPTHPGD

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