SCHEMBL6672007

SCHEMBL6672007

CC(C)(C(N)C(=O)O)C(N)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.62
PTGS1 P23219 2/20 0.62
MAPT P10636 1/20 0.62
SLC7A5 Q01650 2/20 0.41
DPP4 P27487 1/20 0.35
GRIK1 P39086 1/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
SLC1A3 P43003 4/20 0.35
SLC1A2 P43004 4/20 0.35
SLC1A1 P43005 4/20 0.35
SLC7A11 Q9UPY5 1/20 0.33
KIF11 P52732 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
SCHEMBL12655751 0.86 ALDH1A1 (0.54) ALDH1A1PTGS1MAPTSLC7A5DPP4
SCHEMBL20751905 0.86 ALDH1A1 (0.54) ALDH1A1PTGS1MAPTSLC7A5DPP4
SCHEMBL4961818 0.84 ALDH1A1 (0.52) ALDH1A1PTGS1MAPTSLC7A5DPP4
SCHEMBL13502386 0.84 ALDH1A1 (0.52) ALDH1A1PTGS1MAPTSLC7A5DPP4
SCHEMBL3580171 0.84 ALDH1A1 (0.52) ALDH1A1PTGS1MAPTSLC7A5DPP4
SCHEMBL1183636 0.81
SCHEMBL7396758 0.81 ALDH1A1 (0.62) ALDH1A1PTGS1MAPTSLC7A5DPP4
SCHEMBL6688 0.81
SCHEMBL6433 0.81
SCHEMBL23786862 0.79

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
WO-2004037159-A2 COMPOUNDS, COMPOSITIONS AND METHODS FOR MODULATING FAT METABOLISM OBETHERAPY BIOTECHNOLOGY (FR) 2004-05-06 WO disclosed