SCHEMBL29132465

SCHEMBL29132465

C=C(C)C(=O)OCCOC(=O)/C=C\C(=O)OCCO

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.52
TSHR P16473 6/20 0.48
ATM Q13315 1/20 0.42
HCAR2 Q8TDS4 6/20 0.40
ALDH1A1 P00352 5/20 0.37
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TP53 P04637 2/20 0.35
HIF1A Q16665 2/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL550425 0.92 THRB (0.59) THRBTSHRATMHCAR2ALDH1A1
SCHEMBL9155949 0.92 THRB (0.59) THRBTSHRATMHCAR2ALDH1A1
SCHEMBL1696753 0.92 THRB (0.59) THRBTSHRATMHCAR2ALDH1A1
SCHEMBL29132467 0.91 HCAR2 (0.53) THRBTSHRATMHCAR2ALDH1A1
Hydroxyl Radical SCHEMBL28333149 0.90 THRB (0.57) THRBTSHRATMHCAR2ALDH1A1
SCHEMBL7623060 0.88 THRB (0.63) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL11070335 0.87 THRB (0.46) THRBTSHRATMHCAR2ALDH1A1
SCHEMBL22401555 0.87 TSHR (0.47) THRBTSHRATMHCAR2ALDH1A1
SCHEMBL14886 0.86
SCHEMBL29229747 0.86 THRB (0.59) THRBTSHRALDH1A1POLBAPEX1

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
CN-117203187-A Compound, curable composition, and cured product 株式会社ADEKA 2023-12-08 CN disclosed