SCHEMBL27768583

SCHEMBL27768583

CC(O)CC(O)C(=O)CN

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 2/20 0.31
CACNB3 P54284 1/20 0.31
CACNA1C Q13936 1/20 0.31
PGR P06401 1/20 0.31
ADRA1A P35348 1/20 0.31
HTR2B P41595 1/20 0.31
CACNA2D2 Q9NY47 1/20 0.31
GABRR1 P24046 2/20 0.31
SLC7A5 Q01650 1/20 0.31
GLRA1 P23415 1/20 0.30
SLC6A9 P48067 1/20 0.30
OR51E2 Q9H255 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
TSHR P16473 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
SCHEMBL5107564 0.78 ALDH1A1 (0.35) TDP1
SCHEMBL391721 0.78 ALDH1A1 (0.35) TDP1
SCHEMBL16468296 0.78 ALDH1A1 (0.35) TDP1
SCHEMBL16468097 0.77 TDP1 (0.32) TDP1TSHR
SCHEMBL16468098 0.77 TDP1 (0.32) TDP1TSHR
SCHEMBL5222528 0.77 TDP1 (0.32) TDP1TSHR
SCHEMBL18658550 0.74
SCHEMBL18658538 0.74
SCHEMBL16983214 0.73
SCHEMBL9042987 0.73

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
CN-101489421-A Improvements in or relating to edible inks SUN CHEMICAL CORP (US) 2009-07-22 CN disclosed