SCHEMBL8847145

SCHEMBL8847145

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 5/20 0.52
GRIK2 Q13002 5/20 0.52
HDAC1 Q13547 2/20 0.34
HDAC2 Q92769 2/20 0.34
CHRM1 P11229 1/20 0.34
AKR1A1 P14550 1/20 0.34
CHRM3 P20309 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
ADRA1A P35348 1/20 0.34
HRH1 P35367 1/20 0.34
DRD3 P35462 1/20 0.34
SLC6A3 Q01959 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CA2 P00918 1/20 0.34
MAPK1 P28482 1/20 0.34
TBXAS1 P24557 1/20 0.33
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 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
SCHEMBL8847139 0.84 GRIK1 (0.46) GRIK1GRIK2HDAC1HDAC2CHRM1
SCHEMBL8847368 0.82 GRIK1 (0.47) GRIK1GRIK2HDAC1HDAC2CHRM1
SCHEMBL8847224 0.81 GRIK1 (0.43) GRIK1GRIK2HDAC1HDAC2CHRM1
SCHEMBL379205 0.81 GRIK1 (0.64) GRIK1GRIK2HDAC1HDAC2CHRM1
SCHEMBL19483357 0.81 GRIK1 (0.37) GRIK1GRIK2HDAC1HDAC2HDAC3
SCHEMBL19483387 0.81 GRIK1 (0.37) GRIK1GRIK2HDAC1HDAC2HDAC3
SCHEMBL15442112 0.80 GRIK1 (0.42) GRIK1GRIK2
SCHEMBL7879260 0.78 CHRM1 (0.46) GRIK1GRIK2HDAC1HDAC2CHRM1
SCHEMBL3104177 0.77
SCHEMBL8847137 0.76 GRIK1 (0.55) GRIK1GRIK2HDAC1HDAC2CHRM1

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