SCHEMBL16807333

SCHEMBL16807333

CC(=O)NCCC[N+](C)(C)[O-]

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.56
MAPK1 P28482 1/20 0.56
HIF1A Q16665 1/20 0.56
PAOX Q6QHF9 3/20 0.47
ADRA1A P35348 1/20 0.45
TSHR P16473 1/20 0.41
ALDH1A1 P00352 2/20 0.40
CBLB Q13191 1/20 0.40
LSS P48449 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GLA P06280 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
F13A1 P00488 1/20 0.33
NAMPT P43490 1/20 0.33

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
SCHEMBL15470699 0.86 KDM4E (0.48) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL8763339 0.82 KDM4E (0.61) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL19166199 0.81 LSS (0.37) KDM4EMAPK1HIF1AALDH1A1LSS
SCHEMBL966796 0.80 KDM4E (0.34) KDM4EMAPK1HIF1AALDH1A1CBLB
Hydrochloric Acid SCHEMBL4058823 0.80 KDM4E (0.58) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL10002232 0.78 KDM4E (0.56) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL19734905 0.76 KDM4E (0.48) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL19170146 0.76 ALDH1A1 (0.61) KDM4EALDH1A1LSSL3MBTL1GLA
SCHEMBL5983411 0.76 ZDHHC20 (0.55) MAPK1TSHRALDH1A1CBLBLSS
SCHEMBL19192288 0.76 KDM4E (0.65) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150166878-A1 Mobility Control Fluid Composition Comprising Amine Oxide Compound and Enhanced Oil Recovery Method Using the Same SK ENERGY CO., LTD. (KR) 2015-06-18 US disclosed