SCHEMBL22340561

SCHEMBL22340561

COCC(=O)NCCOCCOCCCCCNC(C)=O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
MAPK1 P28482 1/20 0.48
HIF1A Q16665 1/20 0.48
FAAH O00519 1/20 0.43
PAOX Q6QHF9 3/20 0.42
EPHX2 P34913 3/20 0.41
ADRA1A P35348 1/20 0.41
TSHR P16473 2/20 0.40
RECQL P46063 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GLP1R P43220 3/20 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
SCHEMBL25830725 0.97 KDM4E (0.52) KDM4EMAPK1HIF1AFAAHPAOX
SCHEMBL24508451 0.97 KDM4E (0.52) KDM4EMAPK1HIF1AFAAHPAOX
SCHEMBL22856194 0.95 KDM4E (0.44) KDM4EMAPK1HIF1AFAAHPAOX
SCHEMBL23568089 0.95 KDM4E (0.53) KDM4EMAPK1HIF1AFAAHPAOX
SCHEMBL22848850 0.91 MEN1 (0.43) KDM4EMAPK1HIF1ATSHRALDH1A1
SCHEMBL26279906 0.91 MEN1 (0.43) KDM4EMAPK1HIF1ATSHRALDH1A1
SCHEMBL13341358 0.91 MEN1 (0.43) KDM4EMAPK1HIF1ATSHRALDH1A1
SCHEMBL22849300 0.89 MTNR1A (0.42) KDM4EMAPK1HIF1ATSHRALDH1A1
SCHEMBL22525935 0.87 KDM4E (0.64) KDM4EMAPK1HIF1AFAAHPAOX
SCHEMBL24029657 0.87 KDM4E (0.64) KDM4EMAPK1HIF1AFAAHPAOX

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