SCHEMBL28526239

SCHEMBL28526239

NCCC(=O)OCCOCCOCCO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TSHR P16473 4/20 0.42
MAPK1 P28482 1/20 0.42
EPHX2 P34913 1/20 0.40
TDP1 Q9NUW8 1/20 0.38
DGKA P23743 1/20 0.36
CYP1A2 P05177 1/20 0.36
ALDH1A1 P00352 3/20 0.34
TP53 P04637 2/20 0.34
HIF1A Q16665 2/20 0.34
ADRA2A P08913 1/20 0.34
ADRA1A P35348 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPT P10636 3/20 0.33
THRB P10828 2/20 0.33
BLM P54132 1/20 0.33
HTT P42858 1/20 0.33
MGLL Q99685 1/20 0.33
HTR2C P28335 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
SCHEMBL29286860 1.00 MEN1 (0.46) MEN1KMT2ATSHRMAPK1EPHX2
SCHEMBL10523871 0.91 TDP1 (0.43) TSHREPHX2TDP1DGKACYP1A2
Hydrochloric Acid SCHEMBL9420467 0.89 TDP1 (0.42) TSHREPHX2TDP1DGKACYP1A2
SCHEMBL28360102 0.88 CYP1A2 (0.52) MEN1KMT2ATSHRMAPK1EPHX2
SCHEMBL28612263 0.88 CYP1A2 (0.52) MEN1KMT2ATSHRMAPK1EPHX2
SCHEMBL28617789 0.88 CYP1A2 (0.52) MEN1KMT2ATSHRMAPK1EPHX2
SCHEMBL21055107 0.87 MEN1 (0.55) MEN1KMT2ATSHRMAPK1EPHX2
SCHEMBL21876951 0.87 MEN1 (0.55) MEN1KMT2ATSHRMAPK1EPHX2
SCHEMBL1815429 0.87 MEN1 (0.55) MEN1KMT2ATSHRMAPK1EPHX2
SCHEMBL1986732 0.87 MEN1 (0.55) MEN1KMT2ATSHRMAPK1EPHX2

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-109096128-B Preparation method of aminopolyethylene glycol propionic acid 江苏金斯瑞生物科技有限公司 2021-03-09 CN disclosed
CN-109096128-A A kind of preparation method of amino-polyethyleneglycols propionic acid 江苏金斯瑞生物科技有限公司 2018-12-28 CN disclosed