SCHEMBL3392629

SCHEMBL3392629

CC(=O)OCOCCCCCCCCCOCOC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
CES2 O00748 2/20 0.45
TSHR P16473 4/20 0.44
LMNA P02545 2/20 0.42
HSD17B10 Q99714 1/20 0.42
CHRM5 P08912 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRM3 P20309 2/20 0.39
PGR P06401 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
HTR1A P08908 1/20 0.39
CHRNB2 P17787 1/20 0.39
TBXA2R P21731 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA7 P36544 1/20 0.39
CHRNA4 P43681 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CHRNA10 Q9GZZ6 1/20 0.39

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
SCHEMBL3388001 1.00 ALDH1A1 (0.46) ALDH1A1CES2TSHRLMNAHSD17B10
SCHEMBL3388943 1.00 ALDH1A1 (0.46) ALDH1A1CES2TSHRLMNAHSD17B10
SCHEMBL3391086 1.00 ALDH1A1 (0.46) ALDH1A1CES2TSHRLMNAHSD17B10
SCHEMBL3391150 1.00 ALDH1A1 (0.46) ALDH1A1CES2TSHRLMNAHSD17B10
SCHEMBL3392552 0.92 ALDH1A1 (0.48) ALDH1A1CES2TSHRLMNAHSD17B10
SCHEMBL7175331 0.91 CES2 (0.59) ALDH1A1CES2TSHRNAAAEPHX1
SCHEMBL895946 0.91 CES2 (0.59) ALDH1A1CES2TSHRNAAAEPHX1
SCHEMBL18826709 0.89 ALDH1A1 (0.58) ALDH1A1CES2TSHRLMNAHSD17B10
SCHEMBL5198878 0.88 ALDH1A1 (0.56) ALDH1A1CES2TSHRLMNAHSD17B10
SCHEMBL3392872 0.87 ALDH1A1 (0.56) ALDH1A1TSHRLMNAHSD17B10CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8492483-B2 ABA triblock copolymer and process for producing the same MARUZEN PETROCHEMICAL CO., LTD. (JP) 2013-07-23 US disclosed
US-20100286351-A1 ABA TRIBLOCK COPOLYMER AND PROCESS FOR PRODUCING THE SAME MARUZEN PETROCHEMICAL CO., LTD. (JP) 2010-11-11 US disclosed
EP-2186837-A1 ABA TRIBLOCK COPOLYMER AND PROCESS FOR PRODUCING THE SAME MARUZEN PETROCHEMICAL CO., LTD. (JP) 2010-05-19 EP disclosed