SCHEMBL8167181

SCHEMBL8167181

CCCCC(CC)COC(=O)C(CCCC)(COC)CC(C)C

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
CYP3A4 P08684 5/20 0.46
TDP1 Q9NUW8 2/20 0.46
ATM Q13315 1/20 0.46
RECQL P46063 1/20 0.42
ALDH1A1 P00352 7/20 0.41
CA2 P00918 4/20 0.41
LMNA P02545 3/20 0.38
MAPK1 P28482 3/20 0.38
HSD17B10 Q99714 1/20 0.38
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
CA1 P00915 1/20 0.34
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
MMP14 P50281 1/20 0.33

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
SCHEMBL8154141 0.94 TSHR (0.46) TSHRCYP3A4TDP1ATMRECQL
SCHEMBL8154413 0.94 TSHR (0.50) TSHRCYP3A4TDP1ATMRECQL
SCHEMBL8162315 0.90 CYP3A4 (0.46) TSHRCYP3A4TDP1ATMRECQL
SCHEMBL8167202 0.83 CYP4F2 (0.44) ATMCA2L3MBTL1CA1MMP8
SCHEMBL8154123 0.81 CYP3A4 (0.47) TSHRCYP3A4TDP1ATMRECQL
SCHEMBL8162773 0.80 CYP3A4 (0.48) TSHRCYP3A4TDP1ATMRECQL
SCHEMBL29004158 0.78 CYP3A4 (0.55) TSHRCYP3A4TDP1ATMRECQL
SCHEMBL8154578 0.78 CYP3A4 (0.46) TSHRCYP3A4TDP1ATMRECQL
SCHEMBL5441371 0.76 CYP3A4 (0.50) TSHRCYP3A4TDP1ATMRECQL
SCHEMBL8161094 0.76 CYP3A4 (0.50) TSHRCYP3A4TDP1ATMRECQL

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