SCHEMBL11474580

SCHEMBL11474580

CC(C)COCC(O)OCCOCCO

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TSHR P16473 2/20 0.39
MAPK1 P28482 1/20 0.39
THRB P10828 1/20 0.35
HTT P42858 1/20 0.35
MAPT P10636 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL11483450 0.90 HSD17B10 (0.32) MEN1KMT2ATSHRMAPK1ALDH1A1
SCHEMBL11357604 0.90 MEN1 (0.52) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL10388786 0.86 MEN1 (0.44) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL11280943 0.86 MEN1 (0.52) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL8008323 0.86 MEN1 (0.52) MEN1KMT2ATSHRMAPK1THRB
Triethylene Glycol SCHEMBL940389 0.85 MEN1 (0.58) MEN1KMT2ATSHRMAPK1THRB
Di(Hydroxyethyl)Ether SCHEMBL725088 0.83 TSHR (0.56) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL11489974 0.82 ALDH1A1 (0.50) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL11490957 0.82 MEN1 (0.48) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL27831962 0.82 TSHR (0.38) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4204972-A Hydraulic fluids comprising nitrogen-containing boric acid esters HOECHST AKTIENGESELLSCHAFT (DE) 1980-05-27 US disclosed