SCHEMBL28809649

SCHEMBL28809649

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.38
AKR1A1 P14550 1/20 0.38
CHRM3 P20309 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
ADRA1A P35348 1/20 0.38
HRH1 P35367 1/20 0.38
DRD3 P35462 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CA2 P00918 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP3A4 P08684 2/20 0.32
TSHR P16473 2/20 0.32
NFKB1 P19838 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
GRIK1 P39086 1/20 0.31
SLC1A3 P43003 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
SCHEMBL423787 0.98 CHRM1 (0.39) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL28023948 0.96 CHRM1 (0.38) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL28668098 0.96 CHRM1 (0.38) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL3647371 0.92 TDP1 (0.35) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL574763 0.89 CHRM1 (0.33) CHRM1AKR1A1CHRM3HTR2AHTR2C
Glycerin SCHEMBL5053779 0.89 LMNA (0.34) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL432120 0.89 CHRM1 (0.33) CHRM1AKR1A1CHRM3HTR2AHTR2C
E968 SCHEMBL28350725 0.87 LMNA (0.37) CHRM1AKR1A1CHRM3HTR2AHTR2C
1-Hexanol SCHEMBL27616499 0.84 LMNA (0.42) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL8725998 0.84 ALDH1A1 (0.32) CA2MAPK1TSHR

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-103649022-B Process for separating olefin oligomerization products and decomposing oligomerization catalyst residues PUBLIC JSC SIBUR HOLDING (RU) 2015-11-25 CN disclosed
CN-103649022-A Process for separating olefin oligomerization products and decomposing oligomerization catalyst residues OPEN JOINT STOCK COMPANY SIBUR HOLDING 2014-03-19 CN disclosed