SCHEMBL8475877

SCHEMBL8475877

CC(=O)C(C)(C)NCCCCCNC(C)(C)C(C)=O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
MAPK1 P28482 1/20 0.46
HIF1A Q16665 1/20 0.46
PAOX Q6QHF9 4/20 0.38
ADRA1A P35348 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
EPHX1 P07099 8/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 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
SCHEMBL1477727 0.97 KDM4E (0.42) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL455104 0.92 KDM4E (0.36) KDM4EMAPK1HIF1APAOXPOLB
SCHEMBL7127257 0.86 GAA (0.35) KDM4EMAPK1HIF1ATDP1ALDH1A1
SCHEMBL24779728 0.85 EPHX1 (0.41) EPHX1
SCHEMBL8476029 0.84 MEN1 (0.37) KDM4EMAPK1HIF1APAOXTDP1
SCHEMBL12248067 0.83 APP (0.37) KDM4EMAPK1HIF1A
SCHEMBL7129242 0.78
SCHEMBL7129237 0.78
SCHEMBL26452808 0.77 PAOX (0.37) KDM4EPAOXMEN1KMT2A
SCHEMBL8474679 0.75 MEN1 (0.41) KDM4EMAPK1HIF1APAOXTDP1

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
CN-109293536-A Chelating agent 通用电气公司 2019-02-01 CN disclosed
US-5997843-A TECHNETIUM-99M AMERSHAM INTERNATIONAL PLC (GB) 1999-12-07 US disclosed
WO-1995004552-A2 RADIOMETAL COMPLEXES THAT LOCALISE IN HYPOXIC TISSUE AMERSHAM INTERNATIONAL PLC (GB) 1995-02-16 WO disclosed