SCHEMBL28778976

SCHEMBL28778976

CCC(=O)OC(=O)C(N)N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.38
ALDH1A1 P00352 6/20 0.36
ALOX15 P16050 1/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
SOAT1 P35610 1/20 0.36
CYP1A2 P05177 2/20 0.34
HIF1A Q16665 2/20 0.34
CYP2C19 P33261 2/20 0.34
HPGD P15428 1/20 0.34
BLM P54132 1/20 0.34
WRN Q14191 1/20 0.34
TRPA1 O75762 1/20 0.33
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
FFAR3 O14843 1/20 0.32
ESR1 P03372 1/20 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
SCHEMBL28788296 0.80 NAAA (0.35) NAAAALDH1A1ALOX15MGAMGAA
SCHEMBL1535416 0.78 SLC7A5 (0.42) NAAAALDH1A1ALOX15MGAMGAA
SCHEMBL5688404 0.77 PTGS1 (0.44) NAAAALDH1A1ALOX15MGAMGAA
SCHEMBL28679561 0.77 NAAA (0.33) NAAAALDH1A1ALOX15MGAMGAA
SCHEMBL386957 0.76 NAAA (0.39) NAAAALDH1A1ALOX15MGAMGAA
SCHEMBL165589 0.76 NAAA (0.39) NAAAALDH1A1ALOX15MGAMGAA
SCHEMBL6136549 0.75 DPP4 (0.42)
SCHEMBL3498360 0.75 NAAA (0.32) NAAAALDH1A1ALOX15MGAMGAA
SCHEMBL4004371 0.75 NAAA (0.32) NAAAALDH1A1ALOX15MGAMGAA
SCHEMBL6136333 0.75 SLC7A5 (0.50) NAAAALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101784266-B Bupropion hydrobromide and therapeutic applications BIOVAIL LAB INT SRL 2012-07-18 CN disclosed
CN-101903016-A Bupropion hydrobromide and therapeutic uses BIOVAIL LAB INT SRL 2010-12-01 CN disclosed
CN-101784266-A The application of bupropion hydrobromide and treatment BIOVAIL LAB INT SRL 2010-07-21 CN disclosed
CN-101534808-A Modified release formulations of bupropion salts BIOVAIL LAB INT SRL (BB) 2009-09-16 CN disclosed