SCHEMBL29044903

SCHEMBL29044903

C[C](C)OCCOCCO

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
TSHR P16473 5/20 0.56
MAPK1 P28482 2/20 0.56
THRB P10828 2/20 0.46
HTT P42858 1/20 0.46
MAPT P10636 1/20 0.46
ALDH1A1 P00352 5/20 0.46
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
CYP3A4 P08684 1/20 0.34
CASP1 P29466 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SLCO1B3 Q9NPD5 1/20 0.34
SLCO1B1 Q9Y6L6 1/20 0.34
EPHX2 P34913 1/20 0.33
TP53 P04637 2/20 0.32
HIF1A Q16665 2/20 0.32
HSD17B10 Q99714 1/20 0.32
APP P05067 4/20 0.31

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
SCHEMBL5198688 0.82
SCHEMBL28387931 0.79 MEN1 (0.55) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL19468345 0.79 MEN1 (0.55) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL941101 0.79 MEN1 (0.55) MEN1KMT2ATSHRMAPK1THRB
Di(Hydroxyethyl)Ether SCHEMBL4528966 0.79 ALDH1A1 (0.62) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL310500 0.79 ALDH1A1 (0.62) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL994878 0.79 ALDH1A1 (0.62) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL10348237 0.79 ALDH1A1 (0.62) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL14097232 0.79 ALDH1A1 (0.62) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL36021 0.79 ALDH1A1 (0.62) MEN1KMT2ATSHRMAPK1THRB

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
CN-116262860-B Radiation curable inkjet compositions 精工爱普生株式会社 2024-02-23 CN disclosed
CN-116262860-A Radiation curable inkjet compositions 精工爱普生株式会社 2023-06-16 CN disclosed