SCHEMBL4967751

SCHEMBL4967751

C=C(C)C(=O)OCCO.CCCCOCCCC

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.62
THRB P10828 2/20 0.55
HTT P42858 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 1/20 0.46
ALDH1A1 P00352 2/20 0.44
ACHE P22303 1/20 0.43
POLB P06746 1/20 0.41
APEX1 P27695 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CES2 O00748 1/20 0.39
HPGD P15428 1/20 0.39
ATM Q13315 1/20 0.37
MGLL Q99685 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35

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
Butoxyethanol SCHEMBL28213660 0.98 TSHR (0.61) TSHRTHRBHTTMEN1KMT2A
SCHEMBL4969443 0.93 THRB (0.61) TSHRTHRBHTTMEN1KMT2A
SCHEMBL6339685 0.93 TSHR (0.74) TSHRTHRBHTTMEN1KMT2A
Di(Hydroxyethyl)Ether SCHEMBL5447225 0.93 TSHR (0.68) TSHRTHRBHTTMEN1KMT2A
SCHEMBL1004833 0.93 TSHR (0.72) TSHRTHRBHTTALDH1A1ACHE
Hexane SCHEMBL1449723 0.91 TSHR (0.75) TSHRTHRBHTTMEN1KMT2A
SCHEMBL6859246 0.89 THRB (0.69) TSHRTHRBHTTMEN1KMT2A
SCHEMBL887794 0.89 THRB (0.69) TSHRTHRBHTTMEN1KMT2A
SCHEMBL8440904 0.89 THRB (0.58) TSHRTHRBHTTMEN1KMT2A
SCHEMBL36708 0.89 THRB (0.69) TSHRTHRBHTTMEN1KMT2A

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 5 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-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