SCHEMBL28652152

SCHEMBL28652152

CCCCC(CC(C)O)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 4/20 0.63
SLC1A1 P43005 4/20 0.63
SLC1A3 P43003 3/20 0.63
CA2 P00918 6/20 0.63
MAPK1 P28482 1/20 0.63
GRIK1 P39086 3/20 0.56
GRIK2 Q13002 3/20 0.56
CHRM1 P11229 1/20 0.48
AKR1A1 P14550 1/20 0.48
CHRM3 P20309 1/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
ADRA1A P35348 1/20 0.48
HRH1 P35367 1/20 0.48
DRD3 P35462 1/20 0.48
SLC6A3 Q01959 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
MAPT P10636 1/20 0.46

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
SCHEMBL5514956 0.92 GRIK1 (0.66) SLC1A2SLC1A1SLC1A3CA2MAPK1
SCHEMBL3861908 0.92 GRIK1 (0.66) SLC1A2SLC1A1SLC1A3CA2MAPK1
SCHEMBL6917703 0.92 GRIK1 (0.66) SLC1A2SLC1A1SLC1A3CA2MAPK1
SCHEMBL8044187 0.92 GRIK1 (0.66) SLC1A2SLC1A1SLC1A3CA2MAPK1
SCHEMBL11466744 0.92 GRIK1 (0.66) SLC1A2SLC1A1SLC1A3CA2MAPK1
SCHEMBL14502404 0.89 CA2 (0.77) SLC1A2SLC1A1SLC1A3CA2MAPK1
Propylene Glycol SCHEMBL30275310 0.87 GRIK1 (0.60) SLC1A2SLC1A1SLC1A3CA2MAPK1
SCHEMBL2386631 0.87 CHRM1 (0.65) SLC1A2SLC1A1SLC1A3CA2MAPK1
SCHEMBL28957159 0.85 CA2 (0.56) SLC1A2SLC1A1SLC1A3CA2MAPK1
SCHEMBL1716831 0.85 SLC1A2 (0.66) SLC1A2SLC1A1SLC1A3CA2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106243625-B Water blown inorganic hybridization polyurethane with melamine combined polyether and preparation method thereof 重庆派昂科技发展有限公司 2019-04-16 CN claimed
CN-113594465-B Negative electrode binder and preparation method and application thereof 苏州清陶新能源科技有限公司 2023-02-28 CN disclosed
CN-113594465-A Negative electrode binder and preparation method and application thereof 苏州清陶新能源科技有限公司 2021-11-02 CN disclosed