SCHEMBL22340558

SCHEMBL22340558

CNCC(=O)NCCOCCOCCCCCNC(C)=O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
MAPK1 P28482 1/20 0.48
HIF1A Q16665 1/20 0.48
PAOX Q6QHF9 3/20 0.42
EPHX2 P34913 6/20 0.41
ADRA1A P35348 1/20 0.41
CYP2C19 P33261 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
FAAH O00519 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CASP2 P42575 1/20 0.34

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
SCHEMBL22340557 0.87 KDM4E (0.64) KDM4EMAPK1HIF1APAOXEPHX2
SCHEMBL21765847 0.85 KDM4E (0.67) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL14981894 0.85 KDM4E (0.67) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL14669876 0.84 TSHR (0.46) EPHX2MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL13311547 0.83 MEN1 (0.48) KDM4EEPHX2MEN1KMT2AL3MBTL1
SCHEMBL22374761 0.83 FAAH (0.38) EPHX2CYP2C19MEN1KMT2AFAAH
SCHEMBL13864736 0.83 EPHX2 (0.48) EPHX2MEN1KMT2AFAAHCASP2
SCHEMBL22845257 0.83 EPHX2 (0.48) EPHX2MEN1KMT2AFAAHCASP2
SCHEMBL12037859 0.82 MAPK1 (0.50) KDM4EMAPK1HIF1APAOXEPHX2
SCHEMBL22340559 0.82 KDM4E (0.61) KDM4EMAPK1HIF1APAOXEPHX2

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