SCHEMBL689291

SCHEMBL689291

C=C(C)C(=O)OCCOC(=O)CC[C@H](N)C(=O)OCCOC(=O)C(=C)C

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.46
TSHR P16473 3/20 0.41
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPT P10636 1/20 0.34
BLM P54132 1/20 0.34
ALDH1A1 P00352 2/20 0.33
DGKA P23743 1/20 0.33
NOD1 Q9Y239 1/20 0.33
ADRA2A P08913 1/20 0.32
ADRA1A P35348 1/20 0.32
SLC1A1 P43005 1/20 0.31

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
SCHEMBL689290 0.89 THRB (0.45) THRBTSHRPOLBAPEX1HTT
SCHEMBL689292 0.87 THRB (0.46) THRBTSHRPOLBAPEX1HTT
SCHEMBL13651128 0.81 TSHR (0.53) THRBTSHRPOLBAPEX1HTT
SCHEMBL14089857 0.81 THRB (0.50) THRBTSHRPOLBAPEX1HTT
SCHEMBL689289 0.81 THRB (0.33) THRBTSHRTDP1ALDH1A1DGKA
SCHEMBL124287 0.80 THRB (0.61) THRBTSHRPOLBAPEX1HTT
SCHEMBL16744077 0.80 THRB (0.61) THRBTSHRPOLBAPEX1HTT
SCHEMBL4235740 0.80 SLC1A1 (0.38) TSHRTDP1MAPTBLMDGKA
SCHEMBL28535443 0.79 THRB (0.45) THRBTSHRPOLBAPEX1HTT
SCHEMBL28160062 0.79 THRB (0.45) THRBTSHRPOLBAPEX1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1795566-B1 RESIN COMPOSITION FOR WATER-BASED COATING MATERIAL, WATER-BASED COATING MATERIAL, AND PROCESS FOR PRODUCING RESIN COMPOSITION FOR WATER-BASED COATING MATERIAL DAINIPPON INK & CHEMICALS (JP) 2012-02-29 EP disclosed
US-7737213-B2 Resin composition for water paint, water paint, and production method for resin composition for water paint DIC CORPORATION (JP) 2010-06-15 US disclosed
US-20080167424-A1 Resin Composition For Water Paint, Water Paint, And Production Method For Resin Composition For Water Paint DAINIPPON INK AND CHEMICALS, INC. (JP) 2008-07-10 US disclosed
EP-1795566-A1 RESIN COMPOSITION FOR WATER-BASED COATING MATERIAL, WATER-BASED COATING MATERIAL, AND PROCESS FOR PRODUCING RESIN COMPOSITION FOR WATER-BASED COATING MATERIAL Dainippon Ink and Chemicals, Incorporated (JP) 2007-06-13 EP disclosed