SCHEMBL5162479

SCHEMBL5162479

CC(O)OCCOCCOCCO

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
TSHR P16473 2/20 0.50
MAPK1 P28482 1/20 0.50
THRB P10828 1/20 0.43
HTT P42858 1/20 0.43
MAPT P10636 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL4289883 1.00 MEN1 (0.55) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL8057662 0.89 MEN1 (0.39) MEN1KMT2ATSHRMAPK1HSD17B10
SCHEMBL8069328 0.89 MEN1 (0.39) MEN1KMT2ATSHRMAPK1HSD17B10
SCHEMBL19543462 0.88 MEN1 (0.42) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL28763522 0.86 MEN1 (0.40) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL21069301 0.86 TSHR (0.50) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL17656329 0.84
Tetraethylene Glycol SCHEMBL17006462 0.84 MEN1 (0.69) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL765642 0.84
SCHEMBL12527310 0.83 MEN1 (0.42) 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
EP-1487762-B1 RADIOFLUORINATION METHODS GE HEALTHCARE LTD (GB) 2007-02-28 EP disclosed
US-4508916-A Curable substituted urethane acrylates MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1985-04-02 US disclosed