SCHEMBL22326262

SCHEMBL22326262

NCCOCCOCCOCCOCCOCCOCCCCOC(N)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
TSHR P16473 4/20 0.39
CHRM2 P08172 2/20 0.39
CHRM4 P08173 2/20 0.39
CHRM5 P08912 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRM3 P20309 2/20 0.39
CHRNB2 P17787 2/20 0.39
CHRNA4 P43681 2/20 0.39
HTR1A P08908 1/20 0.39
CYP2C19 P33261 1/20 0.39
CHRNA7 P36544 1/20 0.39
ALOX15 P16050 1/20 0.36
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
GAA P10253 1/20 0.32
ALDH1A1 P00352 3/20 0.31
TP53 P04637 2/20 0.31
HIF1A Q16665 2/20 0.31
CYP3A4 P08684 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
SCHEMBL22326325 1.00 LMNA (0.40) LMNATSHRCHRM2CHRM4CHRM5
SCHEMBL28520771 0.89 LMNA (0.39) LMNATSHRCHRM2CHRM4CHRM5
SCHEMBL29014086 0.89 TSHR (0.43) LMNATSHRCHRM2CHRM4CHRM5
SCHEMBL7601715 0.89 TSHR (0.43) LMNATSHRCHRM2CHRM4CHRM5
SCHEMBL18886361 0.89 TSHR (0.43) LMNATSHRCHRM2CHRM4CHRM5
SCHEMBL17361237 0.89 TSHR (0.43) LMNATSHRCHRM2CHRM4CHRM5
SCHEMBL20919654 0.89 TSHR (0.43) LMNATSHRCHRM2CHRM4CHRM5
SCHEMBL28505904 0.89 TSHR (0.43) LMNATSHRCHRM2CHRM4CHRM5
SCHEMBL28405457 0.89 TSHR (0.43) LMNATSHRCHRM2CHRM4CHRM5
SCHEMBL2634031 0.87 LMNA (0.40) LMNATSHRCHRM2CHRM4CHRM5

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
WO-2020162725-A1 TARGET PROTEIN EED DEGRADATION-INDUCING DEGRADUCER, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING DISEASES RELATED TO EED, EZH2, OR PRC2, COMPRISING SAME AS ACTIVE INGREDIENT 한국화학연구원 2020-08-13 WO disclosed