SCHEMBL4965146

SCHEMBL4965146

C=C(C)C(=O)OCC(C)OCC(C)O.CCCCCCOCCCCCC

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.55
TDP1 Q9NUW8 1/20 0.45
MAPT P10636 1/20 0.42
CES2 O00748 1/20 0.40
THRB P10828 1/20 0.39
PLA2G2C Q5R387 3/20 0.38
USP2 O75604 1/20 0.38
SPHK1 Q9NYA1 1/20 0.38
HTT P42858 1/20 0.37
LPAR5 Q9H1C0 1/20 0.36
LPAR1 Q92633 2/20 0.35
LPAR3 Q9UBY5 2/20 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
SCHEMBL4967894 0.95 TSHR (0.50) TSHRTDP1MAPTCES2THRB
SCHEMBL17509593 0.86 POLB (0.44) TSHRTDP1HTT
SCHEMBL36340 0.84 TSHR (0.66) TSHRTDP1MAPTTHRB
Di(Hydroxyethyl)Ether SCHEMBL5373577 0.83 TSHR (0.53) TSHRTDP1THRB
SCHEMBL11835707 0.83 TSHR (0.75) TSHRTDP1MAPTCES2THRB
SCHEMBL11606986 0.83 TSHR (0.75) TSHRTDP1MAPTCES2THRB
Ether SCHEMBL4969139 0.83 TSHR (0.56) TSHRTDP1MAPTTHRB
SCHEMBL1174727 0.83 TSHR (0.63) TSHRTDP1MAPTTHRB
SCHEMBL628379 0.83 TSHR (0.63) TSHRTDP1MAPTTHRB
SCHEMBL63227 0.83 TSHR (0.63) TSHRTDP1MAPTTHRB

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