SCHEMBL13589058

SCHEMBL13589058

CCOC(=O)CCC(=O)C(N)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.54
GAA P10253 2/20 0.48
ALOX15 P16050 1/20 0.48
MGAM O43451 1/20 0.48
SI P14410 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
ALDH1A1 P00352 5/20 0.44
TRPA1 O75762 1/20 0.44
LMNA P02545 2/20 0.42
POLB P06746 2/20 0.42
TSHR P16473 1/20 0.42
CYP4F2 P78329 2/20 0.40
CYP4A11 Q02928 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NR1I2 O75469 1/20 0.39
PGR P06401 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
PTGS2 P35354 1/20 0.39
PDE4D Q08499 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
Succinic Acid Diethyl Ester SCHEMBL27768067 0.83 GAA (0.67) CYP1A2GAAALOX15MGAMSI
Succinic Acid Diethyl Ester SCHEMBL22780 0.83 GAA (0.67) CYP1A2GAAALOX15MGAMSI
SCHEMBL3487275 0.81 CYP1A2 (0.58) CYP1A2GAAALOX15MGAMSI
Succinic Acid Diethyl Ester SCHEMBL27525301 0.80 GAA (0.63) CYP1A2GAAALOX15MGAMSI
Succinic Acid Diethyl Ester SCHEMBL28853161 0.80 GAA (0.63) CYP1A2GAAALOX15MGAMSI
Succinic Acid Diethyl Ester SCHEMBL4324913 0.80 GAA (0.63) CYP1A2GAAALOX15MGAMSI
Succinic Acid Diethyl Ester SCHEMBL29494609 0.80 GAA (0.63) CYP1A2GAAALOX15MGAMSI
Succinic Acid Diethyl Ester SCHEMBL21815758 0.80 GAA (0.63) CYP1A2GAAALOX15MGAMSI
SCHEMBL3533002 0.79 GAA (0.50) CYP1A2GAAMGAMSIMGAM2
SCHEMBL2551687 0.79 GAA (0.50) CYP1A2GAAALOX15MGAMSI

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-20090298134-A1 Method to increase the yield and improve purification of products from transaminase reactions RICHMOND CHEMICAL CORPORATION 2009-12-03 US disclosed