SCHEMBL8847113

SCHEMBL8847113

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 6/20 0.56
GRIK2 Q13002 6/20 0.56
SLC1A3 P43003 5/20 0.38
SLC1A2 P43004 5/20 0.38
SLC1A1 P43005 4/20 0.38
CHRM1 P11229 1/20 0.35
AKR1A1 P14550 1/20 0.35
CHRM3 P20309 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
ADRA1A P35348 1/20 0.35
HRH1 P35367 1/20 0.35
DRD3 P35462 1/20 0.35
SLC6A3 Q01959 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CA2 P00918 1/20 0.35
MAPK1 P28482 1/20 0.35
CPA1 P15085 1/20 0.32

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
SCHEMBL8847065 0.85 GRIK1 (0.53) GRIK1GRIK2SLC1A3SLC1A2SLC1A1
SCHEMBL8847166 0.85 GRIK1 (0.56) GRIK1GRIK2SLC1A3SLC1A2SLC1A1
SCHEMBL8847121 0.83 GRIK1 (0.46) GRIK1GRIK2SLC1A3SLC1A2SLC1A1
SCHEMBL8847227 0.83 GRIK1 (0.55) GRIK1GRIK2SLC1A3SLC1A2SLC1A1
SCHEMBL8847092 0.82 GRIK1 (0.50) GRIK1GRIK2SLC1A3SLC1A2SLC1A1
SCHEMBL7550179 0.82 GRIK1 (0.62) GRIK1GRIK2SLC1A3SLC1A2SLC1A1
SCHEMBL3104177 0.81
SCHEMBL29039769 0.81 GRIK1 (0.39) GRIK1GRIK2HTR2AHRH1HDAC1
SCHEMBL8847143 0.80 CA2 (0.44) GRIK1GRIK2SLC1A3SLC1A2SLC1A1
SCHEMBL1716335 0.79 SLC1A3 (0.58) GRIK1GRIK2SLC1A3SLC1A2SLC1A1

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