SCHEMBL7045787

SCHEMBL7045787

[CH2]C1COC2(CC(C)(CC)N(OC(C)c3ccc(OCC4CO4)cc3)C(C)(CC)C2C)O1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.32
TP53 P04637 2/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 2/20 0.32
TSHR P16473 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP1A2 P05177 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PPARG P37231 1/20 0.32
HIF1A Q16665 1/20 0.32

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
SCHEMBL976412 0.91 TDP1 (0.33) TDP1TP53MAPTHPGDTSHR
SCHEMBL975495 0.91 TDP1 (0.33) TDP1TP53MAPTHPGDTSHR
SCHEMBL977736 0.89 TDP1 (0.32) TDP1TP53MAPTHPGDTSHR
SCHEMBL974390 0.89 TDP1 (0.32) TDP1TP53MAPTHPGDTSHR
SCHEMBL977031 0.89 TDP1 (0.32) TDP1TP53MAPTHPGDTSHR
SCHEMBL974645 0.89 TDP1 (0.35) TDP1TP53MAPTHPGDTSHR
SCHEMBL974673 0.89 TDP1 (0.35) TDP1TP53MAPTHPGDTSHR
SCHEMBL12922162 0.88 TDP1 (0.34) TDP1TP53MAPTHPGDTSHR
SCHEMBL976347 0.88 TDP1 (0.34) TDP1TP53MAPTHPGDTSHR
SCHEMBL975941 0.88 TDP1 (0.31) TDP1TP53MAPTHPGDTSHR

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