SCHEMBL8154154

SCHEMBL8154154

CCCCOC(=O)C(COC)(C(C)C)C1CCCC1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 7/20 0.35
CHRM1 P11229 7/20 0.35
CHRM4 P08173 6/20 0.35
CHRM3 P20309 6/20 0.35
ALDH1A1 P00352 1/20 0.34
ATM Q13315 1/20 0.33
SLC6A3 Q01959 1/20 0.31
KCNH2 Q12809 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 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
SCHEMBL8163061 0.99 CHRM2 (0.37) CHRM2CHRM1CHRM4CHRM3ALDH1A1
SCHEMBL888665 0.86 MMP8 (0.33) ALDH1A1ATM
SCHEMBL888502 0.85 ALDH1A1 (0.34) CHRM2CHRM1CHRM4CHRM3ALDH1A1
SCHEMBL8167677 0.83 CYP3A4 (0.43) ALDH1A1ATMTSHR
SCHEMBL888271 0.82 NPSR1 (0.35)
SCHEMBL8162042 0.82 CYP3A4 (0.42) ALDH1A1ATMTSHR
SCHEMBL888572 0.81 NPSR1 (0.38) ALDH1A1TSHR
SCHEMBL16732143 0.79 ALDH1A1 (0.39) CHRM2CHRM1CHRM4CHRM3ALDH1A1
SCHEMBL13517603 0.77 CHRM2 (0.37) CHRM2CHRM1CHRM4CHRM3ALDH1A1
SCHEMBL16732062 0.77 CHRM2 (0.40) CHRM2CHRM1CHRM4CHRM3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6121483-A 3-alkoxypropionic ester derivative, olefin polymerization catalyst, and process for preparation of polyolefin SHOWA DENKO K.K. (JP) 2000-09-19 US disclosed
US-6118019-A 3-alkoxypropionic ester derivative SHOWA DENKO K.K. (JP) 2000-09-12 US disclosed
US-6015867-A MIXTURES OF ORGANOALUMINUM COMPOUNDS, MAGNESIUM, TITANIUM AND HALOGEN COMPOUNDS WITH ELECTRON DONOR ESTER AS INTENSIFIER, NONTOXIC, SAFE, EFFICIENT SHOWA DENKO K.K. (JP) 2000-01-18 US disclosed
EP-0704424-B1 3-Alkoxypropionic ester derivative, olefin polymerization catalyst, and process for preparation of polyolefin SHOWA DENKO KK (JP) 1998-12-30 EP disclosed
EP-0704424-A1 3-alkoxypropionic ester derivative, olefin polymerization catalyst, and process for preparation of polyolefin SHOWA DENKO KABUSHIKI KAISHA (JP) 1996-04-03 EP disclosed