SCHEMBL9685058

SCHEMBL9685058

CC(O)N(OCCOCCO)C(C)O

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
TSHR P16473 2/20 0.43
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 1/20 0.42
THRB P10828 1/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 1/20 0.39
APP P05067 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
SCHEMBL8961801 0.86 ALDH1A1 (0.38) MEN1KMT2ATSHRMAPK1ALDH1A1
Tetraethylene Glycol SCHEMBL17006462 0.78 MEN1 (0.69) MEN1KMT2ATSHRMAPK1ALDH1A1
Di(Hydroxyethyl)Ether SCHEMBL11345491 0.75 TSHR (0.67) MEN1KMT2ATSHRMAPK1ALDH1A1
Di(Hydroxyethyl)Ether SCHEMBL6822515 0.75 TSHR (0.67) MEN1KMT2ATSHRMAPK1ALDH1A1
Tetraethylene Glycol SCHEMBL28335739 0.75 MEN1 (0.73) MEN1KMT2ATSHRMAPK1ALDH1A1
Diethylene Glycol Monoethyl Ether SCHEMBL2722903 0.75 ALDH1A1 (0.70) MEN1KMT2ATSHRMAPK1ALDH1A1
SCHEMBL28045302 0.74 TSHR (0.43) MEN1KMT2ATSHRMAPK1ALDH1A1
Propylene Glycol SCHEMBL3359839 0.74 MEN1 (0.61) MEN1KMT2ATSHRMAPK1ALDH1A1
Triethylene Glycol SCHEMBL8013235 0.74 MEN1 (0.61) MEN1KMT2ATSHRMAPK1ALDH1A1
Triethylene Glycol SCHEMBL6869496 0.74 MEN1 (0.61) MEN1KMT2ATSHRMAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115582142-A Naphthenic ring isomerization catalyst and preparation method and application thereof 中国石油大学(华东) 2023-01-10 CN disclosed
CN-109401676-B Environment-friendly adhesive for adhering metal to rubber and application thereof 上海交通大学 2020-08-25 CN disclosed
US-5102777-A Immersion solution consists of a solvent, amine and fatty acid , corrosion and chemical resistance to underlying metal layer ARDROX INC. (US) 1992-04-07 US disclosed