SCHEMBL9682879

SCHEMBL9682879

O=C(O)CCC(=O)CC(=O)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 5/20 0.60
OR51E2 Q9H255 2/20 0.60
MAPK1 P28482 1/20 0.60
SLC13A3 Q8WWT9 1/20 0.60
PHF8 Q9UPP1 6/20 0.56
KDM2A Q9Y2K7 6/20 0.56
KDM4E B2RXH2 4/20 0.56
KDM5C P41229 4/20 0.56
KDM6B O15054 2/20 0.56
HAO1 Q9UJM8 1/20 0.52
LMNA P02545 4/20 0.50
ALKBH5 Q6P6C2 1/20 0.50
SUCNR1 Q9BXA5 1/20 0.50
GABRR1 P24046 1/20 0.48
ACE P12821 1/20 0.46
FOLH1 Q04609 1/20 0.42
SLC15A2 Q16348 1/20 0.39
SLC22A6 Q4U2R8 1/20 0.38
ALDH1A1 P00352 1/20 0.37
GAA P10253 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
Oxaloacetate SCHEMBL5614074 0.82 EGLN1 (0.67) EGLN1OR51E2MAPK1SLC13A3PHF8
SCHEMBL4098641 0.82 PHF8 (0.68) EGLN1OR51E2MAPK1SLC13A3PHF8
SCHEMBL17024369 0.79 PHF8 (0.65) EGLN1OR51E2MAPK1SLC13A3PHF8
SCHEMBL30572348 0.79 PHF8 (0.65) EGLN1OR51E2MAPK1SLC13A3PHF8
SCHEMBL218098 0.79 PHF8 (0.65) EGLN1OR51E2MAPK1SLC13A3PHF8
Alpha-Ketoglutaric Acid SCHEMBL1966431 0.78 EGLN1 (0.78) EGLN1OR51E2MAPK1SLC13A3PHF8
SCHEMBL16585474 0.78 HAO1 (0.52) EGLN1OR51E2MAPK1SLC13A3PHF8
SCHEMBL20377443 0.77 PHF8 (0.62) EGLN1OR51E2MAPK1SLC13A3PHF8
SCHEMBL20377438 0.77 PHF8 (0.62) EGLN1OR51E2MAPK1SLC13A3PHF8
SCHEMBL6914036 0.77 PHF8 (0.62) EGLN1OR51E2MAPK1SLC13A3PHF8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5144050-A Hydrogenation Catalysts MONSANTO COMPANY (US) 1992-09-01 US disclosed
WO-1991004734-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING 4,6-TIOXOHEPTANOIC ACID OR ITS DERIVATIVES CETUS CORPORATION (US) 1991-04-18 WO disclosed
WO-1990000049-A2 IMMUNOSUPPRESSIVE ANALOGUES AND DERIVATIVES OF SUCCINYLACETONE CETUS CORPORATION (US) 1990-01-11 WO disclosed