Glutarate

Glutarate

SCHEMBL9469147

O=C([O-])CCCC(=O)[O-].S=C(Nc1ccccc1)Nc1ccccc1.[Cu+2]

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.59
CYP3A4 P08684 1/20 0.59
TAS2R38 P59533 1/20 0.59
HSD17B10 Q99714 1/20 0.59
GAA P10253 5/20 0.54
ABAT P80404 1/20 0.53
LMNA P02545 3/20 0.51
KMT2A Q03164 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MEN1 O00255 2/20 0.50
MAOA P21397 2/20 0.50
MAOB P27338 2/20 0.50
EPHX1 P07099 2/20 0.50
KDM4E B2RXH2 1/20 0.50
PTPN7 P35236 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
NOX1 Q9Y5S8 1/20 0.50
POLB P06746 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
Succinic Acid SCHEMBL9469556 0.93 ALDH1A1 (0.63) ALDH1A1CYP3A4TAS2R38HSD17B10GAA
Stearic Acid SCHEMBL9469604 0.88 ALDH1A1 (0.54) ALDH1A1CYP3A4TAS2R38HSD17B10GAA
Glutarate SCHEMBL9317226 0.85 NPC1 (0.50) ALDH1A1CYP3A4GAAABATLMNA
Glutarate SCHEMBL9316647 0.82 NPC1 (0.50) ALDH1A1CYP3A4GAAABATLMNA
Acetic Acid SCHEMBL9470145 0.82 GAA (0.72) ALDH1A1CYP3A4TAS2R38HSD17B10GAA
Benzoic Acid SCHEMBL9469454 0.79 ALDH1A1 (0.63) ALDH1A1CYP3A4TAS2R38HSD17B10GAA
Succinic Acid SCHEMBL9316978 0.78 NPC1 (0.53) ALDH1A1CYP3A4TAS2R38HSD17B10GAA
SCHEMBL132620 0.77 ALDH1A1 (1.00) ALDH1A1CYP3A4TAS2R38HSD17B10GAA
Stearic Acid SCHEMBL9317214 0.75 CES2 (0.51) ALDH1A1EPHX1KDM4ENPC1RAB9A
SCHEMBL9470190 0.74 ALDH1A1 (0.94) ALDH1A1CYP3A4TAS2R38HSD17B10GAA

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-5236633-A Blend of transparent polymer, thiourea and copper compounds JUJO PAPER CO., LTD. (JP) 1993-08-17 US disclosed