SCHEMBL8847136

SCHEMBL8847136

C#CCC(CC/C(C)=C/C)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 4/20 0.44
GRIK2 Q13002 4/20 0.44
TBXAS1 P24557 1/20 0.35
FOLH1 Q04609 9/20 0.34
CHRM1 P11229 1/20 0.33
AKR1A1 P14550 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GRM3 Q14832 2/20 0.31
NAALAD2 Q9Y3Q0 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
SCHEMBL8847140 1.00 GRIK1 (0.44) GRIK1GRIK2TBXAS1FOLH1CHRM1
SCHEMBL28435149 0.79 FOLH1 (0.56) GRIK1GRIK2FOLH1GRM3NAALAD2
SCHEMBL8847170 0.76 GRIK1 (0.55) GRIK1GRIK2TBXAS1CHRM1AKR1A1
SCHEMBL8847366 0.75 GRIK1 (0.44) GRIK1GRIK2TBXAS1CHRM1AKR1A1
SCHEMBL7557794 0.75 CHRM1 (0.62) GRIK1GRIK2TBXAS1CHRM1AKR1A1
SCHEMBL5053789 0.75 CHRM1 (0.62) GRIK1GRIK2TBXAS1CHRM1AKR1A1
SCHEMBL379205 0.73 GRIK1 (0.64) GRIK1GRIK2TBXAS1FOLH1CHRM1
SCHEMBL8847127 0.73 GRIK1 (0.50) GRIK1GRIK2TBXAS1CHRM1AKR1A1
SCHEMBL7551496 0.72 CA2 (0.61) GRIK1GRIK2TBXAS1CHRM1AKR1A1
SCHEMBL8847129 0.71 GRIK1 (0.44) GRIK1GRIK2TBXAS1CHRM1AKR1A1

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
EP-0778820-A1 NEUROTROPHIC AND ANTIPROLIFERATIVE COMPOUNDS AMERICAN BIOGENETIC SCIENCES, INC. (US) 1997-06-18 EP claimed
WO-1996006821-A1 NEUROTROPHIC AND ANTIPROLIFERATIVE COMPOUNDS AMERICAN BIOGENETIC SCIENCES, INC. (US) 1996-03-07 WO claimed