SCHEMBL8904644

SCHEMBL8904644

N#CC(C#N)=C1c2ccccc2-c2c(CCCCCCCCC(=O)O)cccc21

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
CYSLTR2 Q9NS75 9/20 0.41
CYSLTR1 Q9Y271 9/20 0.41
F13A1 P00488 3/20 0.40
LTB4R Q15722 5/20 0.39
LTB4R2 Q9NPC1 1/20 0.39
PTGER1 P34995 1/20 0.37
PTGER4 P35408 1/20 0.37
PTGER3 P43115 1/20 0.37
PTGER2 P43116 1/20 0.37

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
SCHEMBL5150190 0.77 ALDH1A1 (0.52) MAPTRXFP1CYSLTR2CYSLTR1F13A1
SCHEMBL22826566 0.71 MAPT (0.67) MAPTRXFP1CYSLTR2CYSLTR1F13A1
SCHEMBL16178552 0.70 PTGER1 (0.59) MAPTRXFP1CYSLTR2CYSLTR1F13A1
SCHEMBL28959383 0.70 PTGER1 (0.59) MAPTRXFP1CYSLTR2CYSLTR1F13A1
SCHEMBL11069817 0.70 PTGER1 (0.59) MAPTRXFP1CYSLTR2CYSLTR1F13A1
SCHEMBL28417410 0.70 PTGER1 (0.59) MAPTRXFP1CYSLTR2CYSLTR1F13A1
SCHEMBL7367036 0.69 FFAR1 (0.55) MAPTRXFP1CYSLTR2CYSLTR1F13A1
SCHEMBL4062474 0.69 LIPG (0.40) CYSLTR2CYSLTR1
SCHEMBL25170031 0.69 CYSLTR2 (0.68) CYSLTR2CYSLTR1
SCHEMBL27262058 0.69 CYSLTR2 (0.68) CYSLTR2CYSLTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5698355-A UNDERCOAT LAYER CONTAINS AT LEAST ONE POLYESTER FUJI XEROX CO., LTD. (JP) 1997-12-16 US disclosed