SCHEMBL689289

SCHEMBL689289

C=C(C)COCCOC(=O)CCC(N)C(=O)OCCOCC(=C)C

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
DGKA P23743 1/20 0.32
NOD1 Q9Y239 1/20 0.32
ADRA2A P08913 1/20 0.30
ADRA1A P35348 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
PRSS1 P07477 1/20 0.30
PRSS2 P07478 1/20 0.30
PRSS3 P35030 1/20 0.30

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
SCHEMBL1791414 0.82 ADRA2A (0.43) THRBTDP1DGKAADRA2AADRA1A
SCHEMBL689291 0.81 THRB (0.46) THRBTDP1DGKANOD1ADRA2A
SCHEMBL21318391 0.79 DGKA (0.47) THRBTDP1DGKAADRA2AADRA1A
SCHEMBL11223635 0.79 DGKA (0.52) THRBDGKAADRA2AADRA1AALDH1A1
Methyl Alcohol SCHEMBL28157974 0.78 EPHX2 (0.38) THRBDGKANOD1ADRA2AADRA1A
SCHEMBL28425795 0.78 MEN1 (0.38) TDP1DGKANOD1TSHR
SCHEMBL11684771 0.78 MEN1 (0.38) TDP1DGKANOD1TSHR
SCHEMBL4235740 0.77 SLC1A1 (0.38) TDP1DGKANOD1ADRA2AADRA1A
SCHEMBL6523998 0.76 ADRA2A (0.38) THRBTDP1DGKAADRA2AADRA1A
SCHEMBL6432575 0.75 DGKA (0.42) TDP1DGKANOD1ADRA2AADRA1A

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