SCHEMBL8476281

SCHEMBL8476281

CC(=O)CC(C)(C)NCCCCNC(C)(C)CC(C)=O

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
MAPK1 P28482 1/20 0.37
HIF1A Q16665 1/20 0.37
TDP1 Q9NUW8 1/20 0.34
EPHX1 P07099 1/20 0.33
PAOX Q6QHF9 5/20 0.32
POLB P06746 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ADRA1A P35348 1/20 0.30
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL8475429 0.95 KDM4E (0.32) KDM4EMAPK1HIF1ATDP1
SCHEMBL11130773 0.92 EPHX1 (0.44) EPHX1ALDH1A1
SCHEMBL353945 0.87 APP (0.33)
SCHEMBL9221394 0.87 TDP1 (0.47) KDM4EMAPK1HIF1ATDP1EPHX1
SCHEMBL24031868 0.82 PAOX (0.34) KDM4EPAOX
SCHEMBL19649555 0.73 DPP4 (0.31)
SCHEMBL21880857 0.73
SCHEMBL5969230 0.73 EPHX1 (0.43) EPHX1MEN1KMT2A
SCHEMBL1477727 0.72 KDM4E (0.42) KDM4EMAPK1HIF1ATDP1EPHX1
SCHEMBL12603930 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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