Acetoacetic Acid

Acetoacetic Acid

SCHEMBL3909150

CC(=O)CC(=O)O.CCC(O)O

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
KDM6B O15054 1/20 0.42
KDM5C P41229 1/20 0.42
EGLN1 Q9GZT9 1/20 0.42
PHF8 Q9UPP1 1/20 0.42
KDM2A Q9Y2K7 1/20 0.42
LDHA P00338 1/20 0.40
SRR Q9GZT4 1/20 0.40
ALDH1A1 P00352 3/20 0.38
FFAR3 O14843 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
LMNA P02545 1/20 0.38
SLC15A2 Q16348 1/20 0.38
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
SLC22A6 Q4U2R8 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 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
Acetoacetic Acid SCHEMBL3627073 1.00 KDM4E (0.42) KDM4EKDM6BKDM5CEGLN1PHF8
Acetoacetic Acid SCHEMBL1493223 0.87 TSHR (0.50) KDM4EKDM6BKDM5CEGLN1PHF8
Acetoacetic Acid SCHEMBL29001537 0.87 TSHR (0.50) KDM4EKDM6BKDM5CEGLN1PHF8
Acetoacetic Acid SCHEMBL9633739 0.87 ALOX15 (0.45) KDM4EKDM6BKDM5CEGLN1PHF8
Malonic Acid SCHEMBL27941054 0.86 LDHA (0.56) LDHASRRFFAR3SLC22A6HDAC3
Acetoacetic Acid SCHEMBL6022552 0.84 ALDH1A1 (0.43) KDM4EKDM6BKDM5CEGLN1PHF8
Acetoacetic Acid SCHEMBL8760340 0.83 KDM4E (0.46) KDM4EKDM6BKDM5CEGLN1PHF8
Acetoacetic Acid SCHEMBL18911302 0.83 KDM4E (0.46) KDM4EKDM6BKDM5CEGLN1PHF8
Acetoacetic Acid SCHEMBL6837513 0.83 KDM4E (0.46) KDM4EKDM6BKDM5CEGLN1PHF8
Acetoacetic Acid SCHEMBL9682963 0.83 HDAC1 (0.41) KDM4EKDM6BKDM5CEGLN1PHF8

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
US-7514528-B2 Biomass based Michael addition compositions ROHM AND HAAS COMPANY (US) 2009-04-07 US disclosed
US-20060069234-A1 Biomass based Michael addition compositions ROHM AND HAAS COMPANY 2006-03-30 US disclosed