SCHEMBL21901280

SCHEMBL21901280

CCC(=O)NCC(O)CNC(C)=O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PSMB5 P28074 1/20 0.36
KDM4E B2RXH2 1/20 0.34
MAPK1 P28482 1/20 0.34
HIF1A Q16665 1/20 0.34
CYP2C9 P11712 1/20 0.34
NPC1 O15118 1/20 0.34
MTNR1A P48039 3/20 0.33
MTNR1B P49286 3/20 0.33
PAOX Q6QHF9 1/20 0.32
TSHR P16473 1/20 0.32
ALDH1A1 P00352 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
BCHE P06276 1/20 0.32
POLB P06746 1/20 0.32
NR4A1 P22736 1/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL13411703 0.86 KDM4E (0.43) KDM4EMAPK1HIF1ANPC1MTNR1A
SCHEMBL3692879 0.82 MEN1 (0.46) MEN1KMT2APSMB5CYP2C9MTNR1A
SCHEMBL12719510 0.80 MEN1 (0.44) MEN1KMT2APSMB5KDM4EHIF1A
SCHEMBL15943619 0.80 MEN1 (0.44) MEN1KMT2APSMB5KDM4EHIF1A
SCHEMBL9080368 0.80 MEN1 (0.44) MEN1KMT2APSMB5KDM4EHIF1A
SCHEMBL16015603 0.79
SCHEMBL6636080 0.79
SCHEMBL15835816 0.79
SCHEMBL18908557 0.78 MEN1 (0.43) MEN1KMT2APSMB5CYP2C9TSHR
SCHEMBL16197865 0.77 CYP2D6 (0.52) KMT2AKDM4EMAPK1HIF1ANPC1

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
EP-3640254-A1 HYDROPHOBIC DIACRYLAMIDE COMPOUND Life Technologies Corporation (US) 2020-04-22 EP disclosed