SCHEMBL13201810

SCHEMBL13201810

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

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.58
MAPK1 P28482 1/20 0.58
HIF1A Q16665 1/20 0.58
PAOX Q6QHF9 3/20 0.52
ADRA1A P35348 1/20 0.47
TSHR P16473 1/20 0.43
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.40
ZDHHC20 Q5W0Z9 1/20 0.39
ZDHHC2 Q9UIJ5 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CBLB Q13191 1/20 0.38
GLA P06280 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KMT2A Q03164 1/20 0.36

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
SCHEMBL1900471 0.83 KDM4E (0.82) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL10063646 0.81 MAPT (0.43) KDM4EMAPK1HIF1AALDH1A1MAPT
SCHEMBL21306389 0.80 PAOX (0.74) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL4752158 0.80 ZDHHC20 (0.62) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL4855765 0.79
SCHEMBL2128046 0.78 PAOX (0.78) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL19961838 0.78 PAOX (0.78) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL4855151 0.77 ZDHHC20 (0.64) PAOXTSHRALDH1A1ZDHHC20ZDHHC2
SCHEMBL14910879 0.77 KDM4E (0.65) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL860791 0.77 KDM4E (0.94) KDM4EMAPK1HIF1APAOXADRA1A

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
EP-2398873-B1 AMINE DERIVATIVES AS FRICTION MODIFIERS IN LUBRICANTS LUBRIZOL CORP (US) 2017-04-05 EP disclosed
US-20100210490-A1 Amine Derivatives as Friction Modifiers in Lubricants THE LUBRIZOL CORPORATION (US) 2010-08-19 US disclosed