SCHEMBL2270822

SCHEMBL2270822

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

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
MAPT P10636 1/20 0.48
PTGS1 P23219 1/20 0.48
SLC7A5 Q01650 2/20 0.36
GRIK1 P39086 1/20 0.32
NOS2 P35228 3/20 0.32
NOS3 P29474 2/20 0.32
NOS1 P29475 2/20 0.32
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 1/20 0.31
TP53 P04637 1/20 0.30
TSHR P16473 1/20 0.30
FFAR3 O14843 1/20 0.30
LCK P06239 1/20 0.30
FYN P06241 1/20 0.30

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
SCHEMBL30621981 0.77 ALDH1A1 (0.52) ALDH1A1MAPTPTGS1SLC7A5GRIK1
SCHEMBL28649428 0.74 ALDH1A1 (0.54) ALDH1A1MAPTPTGS1SLC7A5GRIK1
SCHEMBL30621982 0.74 ALDH1A1 (0.54) ALDH1A1MAPTPTGS1SLC7A5GRIK1
SCHEMBL28156660 0.74 LMNA (0.38) ALDH1A1MAPTPTGS1SLC7A5TP53
SCHEMBL23786862 0.72
SCHEMBL223813 0.72
SCHEMBL5585123 0.72 PTGS1 (0.46) ALDH1A1MAPTPTGS1SLC7A5GRIK1
SCHEMBL254738 0.72
SCHEMBL5323238 0.72
SCHEMBL223812 0.72

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-20110190498-A1 STEREO-SPECIFIC HYDROXYLATION GALINSKI ERWIN A 2011-08-04 US disclosed