SCHEMBL5501731

SCHEMBL5501731

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 4/20 0.43
SLC1A2 P43004 4/20 0.43
SLC1A1 P43005 4/20 0.41
GABRR1 P24046 3/20 0.39
SLC7A5 Q01650 1/20 0.39
TP53 P04637 1/20 0.39
CACNA2D1 P54289 2/20 0.39
ADRA1A P35348 2/20 0.39
CACNB3 P54284 1/20 0.39
CACNA1C Q13936 1/20 0.39
PGR P06401 1/20 0.39
HTR2B P41595 1/20 0.39
CACNA2D2 Q9NY47 1/20 0.39
GRIK1 P39086 1/20 0.38
GRIK2 Q13002 1/20 0.38
CHRM1 P11229 1/20 0.37
AKR1A1 P14550 1/20 0.37
CHRM3 P20309 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37

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
SCHEMBL9418997 0.85 SLC1A3 (0.50) SLC1A3SLC1A2SLC1A1SLC7A5TP53
SCHEMBL12325970 0.84 SLC1A1 (0.46) SLC1A3SLC1A2SLC1A1GABRR1ADRA1A
SCHEMBL29950790 0.83 SLC1A3 (0.61) SLC1A3SLC1A2SLC1A1GABRR1SLC7A5
SCHEMBL1058202 0.83 SLC1A3 (0.61) SLC1A3SLC1A2SLC1A1GABRR1SLC7A5
SCHEMBL4738612 0.83 SLC1A3 (0.61) SLC1A3SLC1A2SLC1A1GABRR1SLC7A5
Ammonia Solution, Strong SCHEMBL8998227 0.82 SLC1A3 (0.48) SLC1A3SLC1A2SLC1A1SLC7A5TP53
Hydrochloric Acid SCHEMBL17653157 0.81 SLC1A3 (0.59) SLC1A3SLC1A2SLC1A1GABRR1SLC7A5
SCHEMBL10618415 0.80 GABRR1 (0.44) SLC1A3SLC1A2SLC1A1GABRR1ADRA1A
SCHEMBL20702135 0.78 SLC1A3 (0.58) SLC1A3SLC1A2SLC1A1TP53ADRA1A
SCHEMBL3992147 0.77 SLC1A2 (0.47) SLC1A3SLC1A2SLC1A1GABRR1SLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539183-A4 THERAPEUTIC TREATMENT METHODS HOLLIS EDEN PHARMACEUTICALS (US) 2007-04-25 EP disclosed
EP-1628685-A2 ANTIVIRAL PHOSPHONATE ANALOGS GILEAD SCIENCES, INC. (US) 2006-03-01 EP disclosed
EP-1539183-A1 THERAPEUTIC TREATMENT METHODS Hollis-Eden Pharmaceuticals Inc. (US) 2005-06-15 EP disclosed
WO-2004096286-A2 ANTIVIRAL PHOSPHONATE ANALOGS GILEAD SCIENCES, INC. (US) 2004-11-11 WO disclosed
WO-2004019953-A1 THERAPEUTIC TREATMENT METHODS HOLLIS-EDEN PHARMACEUTICALS, INC. (US) 2004-03-11 WO disclosed