SCHEMBL10388786

SCHEMBL10388786

CC(C)COC(O)COCCOCCOCCO

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TSHR P16473 2/20 0.40
MAPK1 P28482 1/20 0.40
THRB P10828 1/20 0.36
HTT P42858 1/20 0.36
MAPT P10636 1/20 0.36
ALDH1A1 P00352 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL27831962 0.96 TSHR (0.38) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL11474580 0.86 MEN1 (0.42) MEN1KMT2ATSHRMAPK1THRB
Acrylic Acid SCHEMBL10583551 0.86 TSHR (0.38) MEN1KMT2ATSHRALDH1A1HSD17B10
Methacrylic Acid SCHEMBL10579280 0.86 TSHR (0.38) MEN1KMT2ATSHR
SCHEMBL8008323 0.83 MEN1 (0.52) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL11280943 0.83 MEN1 (0.52) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL3883423 0.83 MEN1 (0.58) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL12754641 0.83 MEN1 (0.58) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL940390 0.83 MEN1 (0.58) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL41796 0.83 MEN1 (0.58) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4923905-A DIKETONE AND POLYPEROXY ESTER OF BENZOPHENONE POLYMERIZATION INITIATOR NIPPON OIL AND FATS CO., LTD. (JP) 1990-05-08 US disclosed
EP-0176777-B1 LIGHT CURABLE DENTAL COMPOSITION NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1989-11-23 EP disclosed
US-4746685-A METHACRYLATE COMPOUND WITH AN ORGANIC PEROXIDE AND PYRYCIUM SALT AS A LIGHT POLYMERIZATION NIPPON OIL AND FATS CO., LTD. (JP) 1988-05-24 US disclosed