Oxaloacetate

Oxaloacetate

SCHEMBL8638879

I.O=C(O)CC(=O)C(=O)O

nearest known ligand 0.53

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Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNG

The experimentally established mechanism targets of Oxaloacetate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.53
SRR Q9GZT4 1/20 0.53
OR51E2 Q9H255 3/20 0.47
EGLN1 Q9GZT9 2/20 0.47
MAPK1 P28482 1/20 0.47
SLC13A3 Q8WWT9 1/20 0.47
FEN1 P39748 6/20 0.40
ERCC5 P28715 5/20 0.40
PTPN1 P18031 2/20 0.40
KDM4E B2RXH2 1/20 0.39
TSHR P16473 1/20 0.39
HAO1 Q9UJM8 3/20 0.37
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 1/20 0.35
ALKBH5 Q6P6C2 1/20 0.35
SUCNR1 Q9BXA5 1/20 0.35
FFAR3 O14843 1/20 0.33
GLRA1 P23415 1/20 0.33
SLC6A9 P48067 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 SCHEMBL8464 0.96
Oxaloacetate SCHEMBL898612 0.96 LDHA (0.57) LDHASRROR51E2EGLN1MAPK1
Oxaloacetate SCHEMBL4298763 0.96 LDHA (0.57) LDHASRROR51E2EGLN1MAPK1
Oxaloacetate SCHEMBL25210523 0.93
Oxaloacetate SCHEMBL20912993 0.93 LDHA (0.53) LDHASRROR51E2EGLN1MAPK1
Oxaloacetate SCHEMBL9994505 0.93 LDHA (0.53) LDHASRROR51E2EGLN1MAPK1
Oxaloacetate SCHEMBL6545256 0.93 LDHA (0.53) LDHASRROR51E2EGLN1MAPK1
Oxaloacetate SCHEMBL9782818 0.93 LDHA (0.53) LDHASRROR51E2EGLN1MAPK1
Oxaloacetate SCHEMBL11328361 0.93 LDHA (0.53) LDHASRROR51E2EGLN1MAPK1
Oxaloacetate SCHEMBL6545252 0.93 LDHA (0.53) LDHASRROR51E2EGLN1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0852490-A2 EMULSION AND MICELLAR FORMULATIONS FOR THE DELIVERY OF BIOLOGICALLY ACTIVE SUBSTANCES TO CELLS UNIVERSITY OF PITTSBURGH (US) 1998-07-15 EP disclosed
WO-1997011682-A2 EMULSION AND MICELLAR FORMULATIONS FOR THE DELIVERY OF BIOLOGICALLY ACTIVE SUBSTANCES TO CELLS UNIVERSITY OF PITTSBURGH (US) 1997-04-03 WO disclosed