SCHEMBL7043757

SCHEMBL7043757

[CH2]C1(C)COC2(CC(C)(CC)N(OC(C)c3ccc(OCC4CO4)cc3)C(C)(CC)C2C)OC1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.33
TP53 P04637 3/20 0.32
TSHR P16473 3/20 0.32
ALDH1A1 P00352 3/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
HIF1A Q16665 2/20 0.32
CYP1A2 P05177 1/20 0.32
PPARG P37231 1/20 0.32
PKM P14618 2/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
CYP3A4 P08684 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL12922162 0.94 TDP1 (0.34) TDP1TP53TSHRALDH1A1MAPT
SCHEMBL975413 0.93 TDP1 (0.34) TDP1TP53TSHRALDH1A1MAPT
SCHEMBL974702 0.92 TDP1 (0.33) TDP1TP53TSHRALDH1A1MAPT
SCHEMBL978443 0.92 TDP1 (0.33) TDP1TP53TSHRALDH1A1MAPT
SCHEMBL974645 0.91 TDP1 (0.35) TDP1TP53TSHRALDH1A1MAPT
SCHEMBL975029 0.91 TDP1 (0.32) TDP1TP53TSHRALDH1A1MAPT
SCHEMBL976347 0.90 TDP1 (0.34) TDP1TP53TSHRALDH1A1MAPT
SCHEMBL974979 0.90 TDP1 (0.32) TDP1TP53TSHRALDH1A1MAPT
SCHEMBL973948 0.90 TDP1 (0.33) TDP1TP53TSHRALDH1A1MAPT
SCHEMBL974970 0.90 TDP1 (0.34) TDP1TP53TSHRALDH1A1MAPT

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