SCHEMBL4059450

SCHEMBL4059450

CCOC(=O)C(C)=CN(C)C=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.43
GLO1 Q04760 1/20 0.42
NPSR1 Q6W5P4 2/20 0.38
ALDH1A1 P00352 5/20 0.38
LMNA P02545 2/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C19 P33261 1/20 0.38
MAPT P10636 2/20 0.35
TRPA1 O75762 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
S1PR4 O95977 1/20 0.34
S1PR1 P21453 1/20 0.34
MAPK1 P28482 1/20 0.34
TSHR P16473 1/20 0.33
EGLN1 Q9GZT9 1/20 0.32
ALOX15 P16050 1/20 0.32
MGAM O43451 1/20 0.32

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
SCHEMBL134678 0.82 CYP2C9 (0.56) CYP2C9GLO1NPSR1ALDH1A1LMNA
SCHEMBL11116151 0.82 CYP2C9 (0.56) CYP2C9GLO1NPSR1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL8007864 0.80 CYP2C9 (0.55) CYP2C9GLO1NPSR1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL28568635 0.78 CYP2C9 (0.53) CYP2C9GLO1NPSR1ALDH1A1LMNA
SCHEMBL373413 0.76 GLO1 (0.45) CYP2C9GLO1NPSR1ALDH1A1LMNA
SCHEMBL23340694 0.74 CYP2C9 (0.41) CYP2C9GLO1NPSR1ALDH1A1LMNA
SCHEMBL11868232 0.73 GLO1 (0.42) CYP2C9GLO1NPSR1ALDH1A1LMNA
SCHEMBL8081440 0.73 GLO1 (0.42) CYP2C9GLO1NPSR1ALDH1A1LMNA
Trimethylammonium SCHEMBL16429829 0.72 GLO1 (0.45) CYP2C9GLO1NPSR1ALDH1A1LMNA
Trimethylammonium SCHEMBL17712424 0.72 GLO1 (0.45) CYP2C9GLO1NPSR1ALDH1A1LMNA

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-2109659-A2 DISPERSANT COMBINATION FOR IMPROVED TRANSMISSION FLUIDS The Lubrizol Corporation (US) 2009-10-21 EP disclosed
WO-2008094781-A2 DISPERSANT COMBINATION FOR IMPROVED TRANSMISSION FLUIDS THE LUBRIZOL CORPORATION (US) 2008-08-07 WO disclosed