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Sugi Predict / Compounds / Acetoacetic Acid

Acetoacetic Acid

Acetoacetic Acid

SCHEMBL29096367

CC(=O)CC(=O)O.CC(=O)CC(=O)O.CC(=O)CC(=O)O.CC(=O)CC(=O)O.CCC(CO)(CO)CO.OCC(O)CO

nearest known ligand 0.33

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2C Q5R387 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ KDM6B O15054 1/20 0.31
▸ KDM5C P41229 1/20 0.31
▸ EGLN1 Q9GZT9 1/20 0.31
▸ PHF8 Q9UPP1 1/20 0.31
▸ KDM2A Q9Y2K7 1/20 0.31
▸ GPR84 Q9NQS5 4/20 0.31
▸ FFAR4 Q5NUL3 1/20 0.30
▸ ACACB O00763 1/20 0.30
▸ ACACA Q13085 1/20 0.30
▸ FFAR1 O14842 1/20 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 SCHEMBL6022244 0.89 KDM4E (0.38) ALDH1A1LMNAKDM4EKDM6BKDM5C
Acetoacetic Acid SCHEMBL8999876 0.89 KDM4E (0.38) ALDH1A1LMNAKDM4EKDM6BKDM5C
Acetoacetic Acid SCHEMBL651230 0.89 KDM4E (0.38) ALDH1A1LMNAKDM4EKDM6BKDM5C
Acetoacetic Acid SCHEMBL649054 0.89 KDM4E (0.38) ALDH1A1LMNAKDM4EKDM6BKDM5C
Acetoacetic Acid SCHEMBL7708376 0.89 KDM4E (0.38) ALDH1A1LMNAKDM4EKDM6BKDM5C
Acetoacetic Acid SCHEMBL29155554 0.84 LMNA (0.45) ALDH1A1LMNAKDM4EKDM6BKDM5C
Acetoacetic Acid SCHEMBL491497 0.84 LMNA (0.45) ALDH1A1LMNAKDM4EKDM6BKDM5C
Acetoacetic Acid SCHEMBL491475 0.84 LMNA (0.45) ALDH1A1LMNAKDM4EKDM6BKDM5C
Acetoacetic Acid SCHEMBL648595 0.84 LMNA (0.45) ALDH1A1LMNAKDM4EKDM6BKDM5C
Glycerin SCHEMBL995830 0.80 LMNA (0.50) ALDH1A1LMNA

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-113474383-B Free radical polymerizable composition 波林复合材料美国股份有限公司 2023-10-31 — — CN disclosed