SCHEMBL4059449

SCHEMBL4059449

C=C(CN(C)C=O)C(=O)OCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
TSHR P16473 1/20 0.40
CYP2C9 P11712 1/20 0.39
NPSR1 Q6W5P4 1/20 0.37
GLO1 Q04760 1/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C19 P33261 1/20 0.37
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
THRB P10828 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
ALOX15 P16050 2/20 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
SCHEMBL2145697 0.80 ALDH1A1 (0.45) ALDH1A1TSHRCYP2C9NPSR1GLO1
SCHEMBL2825758 0.76 CA12 (0.52) ALDH1A1CYP2C9CA12CA1CA2
SCHEMBL1848393 0.75 ALDH1A1 (0.44) ALDH1A1TSHRCYP2C9NPSR1GLO1
Acrylamide SCHEMBL3627369 0.74 ALDH1A1 (0.37) ALDH1A1TSHRCYP2C9NPSR1GLO1
Dimethylformamide SCHEMBL28236645 0.73 THRB (0.50) ALDH1A1TSHRCYP2C9NPSR1GLO1
SCHEMBL9472770 0.73 ALDH1A1 (0.36) ALDH1A1TSHRCYP2C9NPSR1GLO1
SCHEMBL9209842 0.73 GLO1 (0.37) ALDH1A1TSHRCYP2C9NPSR1GLO1
SCHEMBL3766346 0.72 ALDH1A1 (0.45) ALDH1A1TSHRCYP2C9NPSR1GLO1
SCHEMBL15158243 0.72 ALDH1A1 (0.41) ALDH1A1TSHRCYP2C9NPSR1GLO1
SCHEMBL17512917 0.72 ALDH1A1 (0.46) ALDH1A1TSHRCYP2C9NPSR1GLO1

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