SCHEMBL29535529

SCHEMBL29535529

[2H]N([2H])C(=O)OC(C)(CCOC(=O)C(=C)C)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
THRB P10828 1/20 0.36
CYP2C19 P33261 3/20 0.34
HIF1A Q16665 1/20 0.34
TSHR P16473 3/20 0.33
CHRM2 P08172 2/20 0.32
CHRM4 P08173 2/20 0.32
CHRM5 P08912 2/20 0.32
CHRM1 P11229 2/20 0.32
CHRM3 P20309 2/20 0.32
ELANE P08246 1/20 0.32
MAPT P10636 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP1A2 P05177 3/20 0.30
CYP2D6 P10635 3/20 0.30
LMNA P02545 2/20 0.30
CYP3A4 P08684 2/20 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
SCHEMBL3684293 0.91 THRB (0.39) POLBAPEX1HTTTDP1THRB
SCHEMBL13801023 0.76 POLB (0.43) POLBAPEX1HTTTDP1THRB
SCHEMBL28552216 0.76 POLB (0.44) POLBAPEX1HTTTDP1THRB
SCHEMBL7872447 0.73 TDP1 (0.44) POLBAPEX1HTTTDP1THRB
SCHEMBL15188011 0.73 CYP2C19 (0.41) HTTTDP1THRBCYP2C19HIF1A
Hydrochloric Acid SCHEMBL27613881 0.73 POLB (0.40) POLBAPEX1HTTTDP1THRB
SCHEMBL115658 0.72 KIF11 (0.46) POLBAPEX1HTTTDP1THRB
SCHEMBL15224723 0.72 ALDH1A1 (0.38) POLBAPEX1HTTTDP1THRB
SCHEMBL8850852 0.71 HIF1A (0.49) POLBAPEX1HTTTDP1THRB
SCHEMBL15168704 0.71 CYP2C19 (0.39) TDP1CYP2C19HIF1ACHRM2CHRM4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3986943-A1 ANAEROBICALLY CURABLE COMPOSITIONS Henkel IP & Holding GmbH (DE) 2022-04-27 EP disclosed
US-20220089920-A1 Anaerobically Curable Compositions HENKEL AG & CO. KGAA (DE) 2022-03-24 US disclosed