SCHEMBL10794867

SCHEMBL10794867

CCCC(C)C(C)(C)CC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 2/20 0.41
ADRA1A P35348 2/20 0.41
HMGCR P04035 1/20 0.41
TBXA2R P21731 1/20 0.41
TSHR P16473 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC2 Q92769 2/20 0.39
CYP2C19 P33261 2/20 0.39
HIF1A Q16665 2/20 0.39
CYP2D6 P10635 1/20 0.39
AKR1A1 P14550 1/20 0.39
CHRM3 P20309 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HRH1 P35367 1/20 0.39
DRD3 P35462 1/20 0.39
SLC6A3 Q01959 1/20 0.39
HSPD1 P10809 1/20 0.36
BLM P54132 1/20 0.36

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
SCHEMBL5164291 0.88 CA2 (0.45) CHRM1ADRA1AHMGCRTBXA2RTDP1
SCHEMBL7800303 0.82 HMGCR (0.44) CHRM1ADRA1AHMGCRTBXA2RTSHR
SCHEMBL7701700 0.79 CYP2D6 (0.41) CHRM1ADRA1AHMGCRTBXA2RTSHR
SCHEMBL5740045 0.77 ADRA1A (0.44) CHRM1ADRA1AHMGCRTBXA2RTSHR
Hydrochloric Acid SCHEMBL11808200 0.76 ADRA1A (0.42) CHRM1ADRA1AHMGCRTBXA2RTSHR
SCHEMBL28003883 0.75 CHRM1 (0.37) CHRM1ADRA1AHMGCRTBXA2RTSHR
SCHEMBL28789030 0.75 HMGCR (0.46) CHRM1ADRA1AHMGCRTBXA2RTSHR
SCHEMBL26954330 0.75 HMGCR (0.46) CHRM1ADRA1AHMGCRTBXA2RTSHR
SCHEMBL1629955 0.75 HMGCR (0.46) CHRM1ADRA1AHMGCRTBXA2RTSHR
SCHEMBL1572172 0.74 HMGCR (0.50) CHRM1ADRA1AHMGCRTBXA2RTSHR

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
EP-0219626-A2 Film-forming compositions comprising polyglutarimide International Business Machines Corporation (US) 1987-04-29 EP claimed