SCHEMBL17285692

SCHEMBL17285692

NC[C@H](O)CC(=O)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 3/20 0.64
LMNA P02545 1/20 0.64
SLC22A6 Q4U2R8 1/20 0.39
OR51E2 Q9H255 3/20 0.35
GABBR2 O75899 1/20 0.34
GABBR1 Q9UBS5 1/20 0.34
CACNA2D1 P54289 2/20 0.32
CACNB3 P54284 1/20 0.32
CACNA1C Q13936 1/20 0.32
PGR P06401 1/20 0.32
ADRA1A P35348 1/20 0.32
HTR2B P41595 1/20 0.32
CACNA2D2 Q9NY47 1/20 0.32
MAPK1 P28482 1/20 0.32
SLC13A3 Q8WWT9 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
GLRA1 P23415 1/20 0.32
SLC6A9 P48067 1/20 0.32
TET2 Q6N021 3/20 0.31
TET3 O43151 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
SCHEMBL395459 1.00 GABRR1 (0.64) GABRR1LMNASLC22A6OR51E2GABBR2
SCHEMBL16585355 0.80 GABRR1 (0.41) GABRR1LMNASLC22A6OR51E2
Gamma-Amino-Beta-Hydroxybutyric Acid SCHEMBL1555143 0.78
Gamma-Amino-Beta-Hydroxybutyric Acid SCHEMBL10421299 0.78 GABRR1 (1.00) GABRR1LMNASLC22A6OR51E2GABBR2
Gamma-Amino-Beta-Hydroxybutyric Acid SCHEMBL2940090 0.78
Gamma-Amino-Beta-Hydroxybutyric Acid SCHEMBL38621 0.78
Oxalic Acid SCHEMBL29242433 0.77 GABRR1 (0.60) GABRR1LMNASLC22A6OR51E2GABBR2
SCHEMBL13218496 0.77 GABRR1 (0.54) GABRR1LMNASLC22A6GABBR2GABBR1
SCHEMBL285410 0.77 CPB2 (0.41) GABRR1LMNASLC22A6GABBR2GABBR1
SCHEMBL15819973 0.76 OR51E2 (0.43) GABRR1LMNASLC22A6OR51E2MAPK1

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-20150337342-A1 BIOSYNTHETIC PATHWAYS AND METHODS REGENTS OF THE UNIVERSITY OF MINNESOTA 2015-11-26 US disclosed