SCHEMBL28539183

SCHEMBL28539183

CCCCC(CCOOC(C)(C)C(C)C)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.49
MAPK1 P28482 1/20 0.49
SLC1A2 P43004 2/20 0.42
SLC1A1 P43005 2/20 0.42
SLC1A3 P43003 1/20 0.42
CHRM1 P11229 1/20 0.41
AKR1A1 P14550 1/20 0.41
CHRM3 P20309 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
ADRA1A P35348 1/20 0.41
HRH1 P35367 1/20 0.41
DRD3 P35462 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL536692 0.85 CA2 (0.53) CA2MAPK1SLC1A2SLC1A1SLC1A3
SCHEMBL6664817 0.83 CA2 (0.50) CA2MAPK1SLC1A2SLC1A1SLC1A3
SCHEMBL8016442 0.80 CA2 (0.47) CA2MAPK1SLC1A2SLC1A1SLC1A3
SCHEMBL5499106 0.80 CA2 (0.59) CA2MAPK1SLC1A2SLC1A1SLC1A3
SCHEMBL8161720 0.78 CA2 (0.57) CA2MAPK1SLC1A2SLC1A1SLC1A3
SCHEMBL4623602 0.77 CA2 (0.77) CA2MAPK1SLC1A2SLC1A1SLC1A3
SCHEMBL593706 0.75 CA2 (0.81) CA2MAPK1SLC1A2SLC1A1SLC1A3
SCHEMBL8049746 0.75 CA2 (0.45) CA2MAPK1SLC1A2SLC1A1SLC1A3
SCHEMBL13477875 0.74 CA2 (0.61) CA2MAPK1SLC1A2SLC1A1SLC1A3
SCHEMBL5364627 0.74 CA2 (0.43) CA2MAPK1SLC1A2SLC1A1SLC1A3

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
CN-107540779-B Methacrylic resin composition, method for producing same, pellet, and molded body 旭化成株式会社 2021-04-13 CN disclosed
CN-108627979-B Head-mounted display member 旭化成株式会社 2021-03-16 CN disclosed