SCHEMBL28398100

SCHEMBL28398100

CCCC(CC)(CC)C(C(C)=O)C(=O)O.[AlH3]

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
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
LMNA P02545 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL3642620 0.89 HDAC1 (0.37) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL20953994 0.85 HDAC1 (0.37) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL28796188 0.75 GPR84 (0.41) TDP1
SCHEMBL3061235 0.74 HDAC1 (0.38) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL9346684 0.73 GPR84 (0.44) TDP1HSD17B10
SCHEMBL7873967 0.73 GPR84 (0.44) TDP1HSD17B10
SCHEMBL11461309 0.73 GPR84 (0.44) TDP1HSD17B10
SCHEMBL20954015 0.72 CA2 (0.39) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL9577911 0.71 CA2 (0.32) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL27574337 0.71 CA2 (0.32) CHRM1AKR1A1CHRM3HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109476963-B Pressure sensitive adhesive strip 德莎欧洲股份公司 2020-04-14 CN disclosed