Acetoacetic Acid

Acetoacetic Acid

SCHEMBL9774483

CC(=O)CC(=O)O.CC(=O)CC(=O)O.OC[C@H]1CC[C@H](CO)CC1

nearest known ligand 0.38

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PHF8 Q9UPP1 2/20 0.38
▸ KDM2A Q9Y2K7 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ KDM6B O15054 1/20 0.38
▸ KDM5C P41229 1/20 0.38
▸ EGLN1 Q9GZT9 1/20 0.38
▸ LDHA P00338 1/20 0.35
▸ SRR Q9GZT4 1/20 0.35
▸ LMNA P02545 2/20 0.33
▸ SLC15A2 Q16348 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.32
▸ MGAM O43451 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ SI P14410 1/20 0.32
▸ MGAM2 Q2M2H8 1/20 0.32
▸ ESR1 P03372 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ ESR2 Q92731 1/20 0.31
▸ PLG P00747 1/20 0.31

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 SCHEMBL8956946 1.00 PHF8 (0.38) PHF8KDM2AKDM4EKDM6BKDM5C
Acetoacetic Acid SCHEMBL28467070 0.90 LMNA (0.38) PHF8KDM2AKDM4EKDM6BKDM5C
Malonic Acid SCHEMBL30288560 0.85 LDHA (0.50) PHF8KDM2ALDHASRRLMNA
Acetic Acid SCHEMBL2479593 0.83 — —
Acetone SCHEMBL9562373 0.80 — —
Propionic Acid SCHEMBL28122151 0.78 FFAR3 (0.53) LMNATDP1ESR1CYP3A4CYP2C9
Bicarbonate SCHEMBL5274866 0.77 PLG (0.40) LMNATDP1ESR1CYP3A4CYP2C9
Acetoacetic Acid SCHEMBL29107389 0.77 EGLN1 (0.50) PHF8KDM2AKDM4EKDM6BKDM5C
Acetoacetic Acid SCHEMBL1406366 0.77 LDHA (0.57) PHF8KDM2AKDM4EKDM6BKDM5C
Acetoacetic Acid SCHEMBL10941648 0.77 LDHA (0.57) PHF8KDM2AKDM4EKDM6BKDM5C

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-5017649-A Low temperature crosslinking EASTMAN KODAK COMPANY (US) 1991-05-21 — — US disclosed
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