Oxaloacetate

Oxaloacetate

SCHEMBL31027133

O=C([O-])CC(=O)C(=O)O.O=C([O-])CC(=O)C(=O)O.O=C([O-])CC(=O)C(=O)O.O=C([O-])CC(=O)C(=O)O.O=C([O-])CC(=O)C(=O)O.[V+5]

nearest known ligand 0.56

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Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CA4 P22748 2/20 0.56
▸ OR51E2 Q9H255 2/20 0.42
▸ FEN1 P39748 7/20 0.39
▸ ERCC5 P28715 6/20 0.39
▸ PTPN1 P18031 2/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ SLC13A3 Q8WWT9 1/20 0.38
▸ EGLN1 Q9GZT9 1/20 0.38
▸ HAO1 Q9UJM8 3/20 0.36
▸ CASP1 P29466 1/20 0.35
▸ LDHA P00338 1/20 0.33
▸ SRR Q9GZT4 1/20 0.33

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 SCHEMBL9994508 0.97 CA4 (0.60) CA4OR51E2FEN1ERCC5PTPN1
Oxaloacetate SCHEMBL28674017 0.93 CA4 (0.56) CA4OR51E2FEN1ERCC5PTPN1
Oxaloacetate SCHEMBL7632482 0.93 CA4 (0.56) CA4OR51E2FEN1ERCC5PTPN1
Oxaloacetate SCHEMBL29210051 0.93 CA4 (0.56) CA4OR51E2FEN1ERCC5PTPN1
Oxaloacetate SCHEMBL31087912 0.93 CA4 (0.62) CA4OR51E2FEN1ERCC5PTPN1
Oxaloacetate SCHEMBL9782823 0.93 CA4 (0.56) CA4OR51E2FEN1ERCC5PTPN1
Oxaloacetate SCHEMBL6310312 0.93 CA4 (0.56) CA4OR51E2FEN1ERCC5PTPN1
Oxaloacetate SCHEMBL11328363 0.93 CA4 (0.56) CA4OR51E2FEN1ERCC5PTPN1
Oxaloacetate SCHEMBL29098309 0.93 CA4 (0.56) CA4OR51E2FEN1ERCC5PTPN1
Oxaloacetate SCHEMBL3690109 0.93 CA4 (0.56) CA4OR51E2FEN1ERCC5PTPN1

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-115322269-B Modified double active center supported catalyst and preparation method and application thereof 中国石油天然气股份有限公司 2024-07-30 — — CN disclosed
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