SCHEMBL31402602

SCHEMBL31402602

CC(C)OC(=O)CCC(=O)OC(C)C.[Na]

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.60
TSHR P16473 4/20 0.48
MAPT P10636 3/20 0.47
NOTUM Q6P988 1/20 0.41
HTT P42858 1/20 0.40
ADRA2A P08913 1/20 0.39
ADRA1A P35348 1/20 0.39
CYP2D6 P10635 1/20 0.38
ALDH1A1 P00352 2/20 0.37
BLM P54132 1/20 0.37
HCAR2 Q8TDS4 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL72471 0.97 LMNA (0.62) LMNATSHRMAPTNOTUMHTT
SCHEMBL25182 0.89 LMNA (0.56) LMNATSHRMAPTNOTUMHTT
Butane SCHEMBL20558824 0.89 LMNA (0.68) LMNATSHRMAPTNOTUMHTT
SCHEMBL811107 0.87 LMNA (0.54) LMNATSHRMAPTNOTUMHTT
SCHEMBL1979159 0.87 TSHR (0.65) LMNATSHRMAPTHTTALDH1A1
Ethylenediamine SCHEMBL7702427 0.87 LMNA (0.54) LMNATSHRMAPTNOTUMHTT
SCHEMBL191308 0.87 LMNA (0.54) LMNATSHRMAPTNOTUMHTT
SCHEMBL15391 0.86 LMNA (0.78) LMNATSHRMAPTALDH1A1GAA
SCHEMBL18619 0.86 LMNA (0.71) LMNATSHRMAPTHTTCYP2D6
SCHEMBL8104259 0.86 LMNA (0.78) LMNATSHRMAPTALDH1A1GAA

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-119453232-A Pesticide for seeds of Fagaceae plants and preparation method and application thereof 湖南省植物园 2025-02-18 CN disclosed