SCHEMBL4965587

SCHEMBL4965587

C=C(C)C(=O)OCCOCCO.CCCCC(CC)COCC(CC)CCCC

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.48
TSHR P16473 7/20 0.47
CYP3A4 P08684 5/20 0.43
ATM Q13315 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP14 P50281 1/20 0.41
ALDH1A1 P00352 5/20 0.39
CA2 P00918 1/20 0.39
RECQL P46063 1/20 0.38
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 2/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL5452604 1.00 THRB (0.48) THRBTSHRCYP3A4ATMTDP1
SCHEMBL26920606 0.92 THRB (0.53) THRBTSHRCYP3A4ATMTDP1
SCHEMBL985292 0.92 THRB (0.53) THRBTSHRCYP3A4ATMTDP1
Di(Hydroxyethyl)Ether SCHEMBL1493257 0.91 TSHR (0.51) THRBTSHRCYP3A4ATMTDP1
SCHEMBL1982685 0.91 THRB (0.54) THRBTSHRCYP3A4ATMTDP1
Diethylene Glycol Monoethyl Ether SCHEMBL4837261 0.89 THRB (0.50) THRBTSHRCYP3A4ATMTDP1
SCHEMBL4156804 0.87 TSHR (0.52) THRBTSHRCYP3A4ATMTDP1
SCHEMBL16737874 0.86 TSHR (0.49) THRBTSHRCYP3A4ATMTDP1
SCHEMBL10627515 0.84 THRB (0.43) THRBTSHRCYP3A4ATMTDP1
Triethylene Glycol SCHEMBL9402837 0.83 CYP3A4 (0.56) THRBTSHRCYP3A4ATMTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1249333-B9 Fiber-reinforced plastic molded article and method for its production DAINIPPON INK & CHEMICALS (JP) 2008-09-10 EP disclosed
EP-1249333-B1 Fiber-reinforced plastic molded article and method for its production DAINIPPON INK & CHEMICALS (JP) 2008-03-05 EP disclosed
US-20070048467-A1 Information recording medium HITACHI MAXELL, LTD. 2007-03-01 US disclosed
US-6863973-B2 Fiber-reinforced plastic molded article, its production method and a molding mold using that method DAINIPPON INK AND CHEMICALS, INC. (JP) 2005-03-08 US disclosed
US-20030035961-A1 Fiber-reinforced plastic molded article, its production method and a molding mold using that method DAINIPPON INK AND CHEMICALS, INC. (JP) 2003-02-20 US disclosed
EP-1249333-A2 Fiber-reinforced plastic molded article and method for its production DAINIPPON INK AND CHEMICALS, INC. (JP) 2002-10-16 EP disclosed