SCHEMBL8475429

SCHEMBL8475429

CC(=O)CC(C)(C)NCCCNC(C)(C)CC(C)=O

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.32
HIF1A Q16665 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL8476281 0.95 KDM4E (0.37) KDM4EMAPK1HIF1ATDP1
SCHEMBL11130773 0.87 EPHX1 (0.44)
SCHEMBL353945 0.82 APP (0.33)
SCHEMBL9221394 0.82 TDP1 (0.47) KDM4EMAPK1HIF1ATDP1
SCHEMBL24031868 0.82 PAOX (0.34) KDM4E
SCHEMBL19649555 0.73 DPP4 (0.31)
SCHEMBL21880857 0.73
SCHEMBL455104 0.72 KDM4E (0.36) KDM4EMAPK1HIF1A
SCHEMBL12603930 0.72
SCHEMBL28098746 0.71 TSHR (0.33) MAPK1

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