SCHEMBL9489883

SCHEMBL9489883

COC(=O)OCCOCCOCCOCCO

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
TSHR P16473 6/20 0.46
MAPK1 P28482 1/20 0.46
THRB P10828 2/20 0.40
HTT P42858 1/20 0.40
MAPT P10636 1/20 0.40
ALDH1A1 P00352 5/20 0.39
TP53 P04637 2/20 0.37
HIF1A Q16665 2/20 0.37
HSD17B10 Q99714 1/20 0.37
EPHX2 P34913 1/20 0.36
ACHE P22303 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.31
APP P05067 1/20 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
SCHEMBL9489938 1.00 MEN1 (0.50) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL9489283 1.00 MEN1 (0.50) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL9487692 1.00 MEN1 (0.50) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL9489709 1.00 MEN1 (0.50) MEN1KMT2ATSHRMAPK1THRB
Triethylene Glycol SCHEMBL9463191 0.94 MEN1 (0.44) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL3454202 0.91 ALDH1A1 (0.42) MEN1KMT2ATSHRTHRBMAPT
SCHEMBL17461587 0.91 ALDH1A1 (0.42) MEN1KMT2ATSHRTHRBMAPT
SCHEMBL28633622 0.88 ALDH1A1 (0.41) MEN1KMT2ATSHRTHRBMAPT
SCHEMBL28644452 0.88 ALDH1A1 (0.41) MEN1KMT2ATSHRTHRBMAPT
SCHEMBL28642740 0.88 ALDH1A1 (0.41) MEN1KMT2ATSHRTHRBMAPT

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
US-5191123-A Catalytic decarboxylation with a metal oxide catalyst UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1993-03-02 US disclosed
EP-0478076-A2 Processes for the preparation of hydroxyl-containing compounds UNION CARBIDE CHEMICALS AND PLASTICS COMPANY, INC. (US) 1992-04-01 EP disclosed