SCHEMBL3429197

SCHEMBL3429197

C=CCC=C(CN)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABAT P80404 1/20 0.40
GABRR1 P24046 3/20 0.33
GLRA1 P23415 1/20 0.33
SLC6A9 P48067 1/20 0.33
OR51E2 Q9H255 1/20 0.33
BLM P54132 3/20 0.31
GABRR2 P28476 2/20 0.31
TSHR P16473 2/20 0.31
GABRR3 A8MPY1 1/20 0.31
LMNA P02545 1/20 0.31
APEX1 P27695 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
GRIK1 P39086 1/20 0.31
GRIK2 Q13002 1/20 0.31
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
MEN1 O00255 1/20 0.30
CYP2D6 P10635 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
SCHEMBL462909 0.79 TSHR (0.34) ABATTSHRTDP1
SCHEMBL462908 0.79 TSHR (0.34) ABATTSHRTDP1
SCHEMBL4613225 0.79 ABAT (0.32) ABATOR51E2TSHR
SCHEMBL910745 0.77 TSHR (0.48) ABATBLMTSHRTDP1SLC6A2
SCHEMBL7679064 0.77 ALDH1A1 (0.37) ABATTSHRGRIK1GRIK2
SCHEMBL2522759 0.77 ALDH1A1 (0.37) ABATTSHRGRIK1GRIK2
SCHEMBL11567150 0.77 TSHR (0.33) ABATTSHR
SCHEMBL7679499 0.74 FFAR3 (0.37) TSHRGRIK1GRIK2
Propane SCHEMBL15303565 0.74 GRIK1 (0.32) TSHRGRIK1GRIK2
Glycine SCHEMBL8516800 0.73 GLRA1 (0.46) GABRR1GLRA1SLC6A9OR51E2BLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8334328-B2 Photopolymerization material for gums isolation KLOX TECHNOLOGIES INC. (CA) 2012-12-18 US disclosed
US-20100152296-A1 PHOTOPOLYMERIZATION MATERIAL FOR GUMS ISOLATION KLOX TECHNOLOGIES INC. (CA) 2010-06-17 US disclosed