SCHEMBL3688757

SCHEMBL3688757

C=C(C)C(=O)OC(CCC(=O)O)C(=O)OCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.39
TSHR P16473 4/20 0.37
GABRP O00591 2/20 0.36
GABRD O14764 2/20 0.36
GABRA1 P14867 2/20 0.36
GABRB1 P18505 2/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA5 P31644 2/20 0.36
GABRA3 P34903 2/20 0.36
GABRA2 P47869 2/20 0.36
GABRB2 P47870 2/20 0.36
GABRA4 P48169 2/20 0.36
GABRE P78334 2/20 0.36
GABRA6 Q16445 2/20 0.36
GABRG1 Q8N1C3 2/20 0.36
GABRG3 Q99928 2/20 0.36
GABRQ Q9UN88 2/20 0.36
FOLH1 Q04609 4/20 0.33
GLO1 Q04760 1/20 0.33

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
SCHEMBL1408304 0.83 THRB (0.41) THRBTSHRGLO1ALDH1A1LMNA
SCHEMBL1268708 0.83 ALDH1A1 (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28390079 0.79 THRB (0.38) THRBTSHRGLO1ALDH1A1CYP1A2
SCHEMBL15721249 0.78 THRB (0.42) THRBTSHRGLO1ALDH1A1LMNA
SCHEMBL21359691 0.77 TSHR (0.37) THRBTSHRGABRPGABRDGABRA1
SCHEMBL2385673 0.77 MGAM (0.42) THRBTSHRGLO1ALDH1A1CYP1A2
Succinic Acid SCHEMBL3871268 0.75 THRB (0.53) THRBTSHRGLO1ALDH1A1LMNA
Succinic Acid SCHEMBL721623 0.75 THRB (0.53) THRBTSHRGLO1ALDH1A1LMNA
SCHEMBL2974754 0.74 TSHR (0.42) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL7074875 0.73 THRB (0.47) THRBTSHRGLO1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2090594-B1 ACTIVE-ENERGY-RAY-CURABLE WATER-BASED RESIN COMPOSITION, ACTIVE-ENERGY-RAY-CURABLE COATING MATERIAL, METHOD OF FORMING CURED COATING FILM, AND ARTICLE DAINIPPON INK & CHEMICALS (JP) 2010-11-24 EP disclosed
US-20100010162-A1 ACTIVE ENERGY-RAY-CURABLE WATER- BASED RESIN COMPOSITION, ACTIVE ENERGY-RAY-CURABLE COATING MATERIAL, METHOD OF FORMING CURED COATING FILM, AND ARTICLE DIC CORPORATION (JP) 2010-01-14 US disclosed
EP-2090594-A1 ACTINIC-ENERGY-RAY-CURABLE WATER-BASED RESIN COMPOSITION, ACTINIC-ENERGY-RAY-CURABLE COATING MATERIAL, METHOD OF FORMING CURED COATING FILM, AND ARTICLE DIC Corporation (JP) 2009-08-19 EP disclosed