Acetoacetic Acid

Acetoacetic Acid

SCHEMBL9250095

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

nearest known ligand 0.41

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
KDM5C P41229 2/20 0.41
EGLN1 Q9GZT9 2/20 0.41
PHF8 Q9UPP1 2/20 0.41
KDM2A Q9Y2K7 2/20 0.41
KDM6B O15054 1/20 0.41
LDHA P00338 1/20 0.38
SRR Q9GZT4 1/20 0.38
LMNA P02545 1/20 0.36
SLC15A2 Q16348 1/20 0.36
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
HTT P42858 1/20 0.32
ALDH1A1 P00352 2/20 0.30

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
Acetoacetic Acid SCHEMBL6620 0.81
Acetoacetic Acid SCHEMBL649090 0.81 LDHA (0.57) KDM4EKDM5CEGLN1PHF8KDM2A
Acetoacetic Acid SCHEMBL1144213 0.81 LDHA (0.57) KDM4EKDM5CEGLN1PHF8KDM2A
SCHEMBL1478378 0.81 FFAR3 (0.43) LMNACYP2D6TSHRCYP2C19HIF1A
Acetoacetic Acid SCHEMBL1406366 0.81 LDHA (0.57) KDM4EKDM5CEGLN1PHF8KDM2A
Acetoacetic Acid SCHEMBL28972036 0.81 LDHA (0.57) KDM4EKDM5CEGLN1PHF8KDM2A
Acetoacetic Acid SCHEMBL31420005 0.81
Acetoacetic Acid SCHEMBL10941648 0.81 LDHA (0.57) KDM4EKDM5CEGLN1PHF8KDM2A
Acetoacetic Acid SCHEMBL21402364 0.81
Acetoacetic Acid SCHEMBL653110 0.81 LDHA (0.57) KDM4EKDM5CEGLN1PHF8KDM2A

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-5453464-A Bis-acetoacetates and bis-beta-ketoesters, crosslinkers for hydroxy containing polymers, films EASTMAN CHEMICAL COMPANY (US) 1995-09-26 US disclosed