SCHEMBL8939100

SCHEMBL8939100

CNCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
PDE4A P27815 1/20 0.47
LMNA P02545 2/20 0.44
USP2 O75604 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
SLCO1B1 Q9Y6L6 1/20 0.36
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
ANPEP P15144 1/20 0.33
DNPEP Q9ULA0 1/20 0.33
PTGS1 P23219 1/20 0.31
KCNH2 Q12809 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
SCHEMBL12313466 1.00 KDM4E (0.47) KDM4EPDE4ALMNAUSP2MEN1
SCHEMBL16316374 0.91 PDE4A (0.56) KDM4EPDE4ALMNAUSP2MEN1
SCHEMBL8939170 0.91 PDE4A (0.56) KDM4EPDE4ALMNAUSP2MEN1
SCHEMBL14690715 0.90 KDM4E (0.44) KDM4EPDE4ALMNAUSP2MEN1
SCHEMBL31396233 0.86 PDE4A (0.47) KDM4EPDE4ALMNAUSP2MEN1
SCHEMBL25014974 0.85 PDE4A (0.50) KDM4EPDE4ALMNAUSP2MEN1
SCHEMBL22847856 0.84 PDE4A (0.48) KDM4EPDE4ALMNAUSP2MEN1
SCHEMBL9310200 0.84 PDE4A (0.48) KDM4EPDE4ALMNAUSP2MEN1
SCHEMBL9323008 0.83 PDE4A (0.52) KDM4EPDE4ALMNAUSP2MEN1
SCHEMBL4949039 0.83 USP2 (0.65) KDM4EPDE4ALMNAUSP2MEN1

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
US-5521293-A Heteroatom containing alkyl aldonamide compounds as superior foaming, more soluble nonionic surfactants and a process for their manufacture LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1996-05-28 US disclosed