Acetoacetic Acid

Acetoacetic Acid

SCHEMBL5797432

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

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44
GPR84 Q9NQS5 1/20 0.39
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
CAMK2A Q9UQM7 1/20 0.37
KDM4E B2RXH2 1/20 0.37
KDM6B O15054 1/20 0.37
KDM5C P41229 1/20 0.37
EGLN1 Q9GZT9 1/20 0.37
PHF8 Q9UPP1 1/20 0.37
KDM2A Q9Y2K7 1/20 0.37
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TGFBR1 P36897 1/20 0.34
LDHA P00338 1/20 0.33
SRR Q9GZT4 1/20 0.33
LMNA P02545 1/20 0.32
SLC15A2 Q16348 1/20 0.32
ALDH1A1 P00352 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 SCHEMBL28836460 0.91 KDM4E (0.39) FNTAFNTBKDM4EKDM6BKDM5C
Acetoacetic Acid SCHEMBL5276570 0.91 KDM4E (0.39) FNTAFNTBKDM4EKDM6BKDM5C
Acetoacetic Acid SCHEMBL29155166 0.91 KDM4E (0.39) FNTAFNTBKDM4EKDM6BKDM5C
Acetoacetic Acid SCHEMBL6430772 0.89 KDM4E (0.44) KDM4EKDM6BKDM5CEGLN1PHF8
Acetoacetic Acid SCHEMBL5799844 0.89 GPR84 (0.48) FNTAFNTBGPR84FFAR1FFAR4
Acetoacetic Acid SCHEMBL649328 0.89 GPR84 (0.48) FNTAFNTBGPR84FFAR1FFAR4
Acetoacetic Acid SCHEMBL29000068 0.86 KDM4E (0.42) KDM4EKDM6BKDM5CEGLN1PHF8
1,6-Hexanediol SCHEMBL17746196 0.86 GPR84 (0.52) FNTAFNTBGPR84FFAR1FFAR4
Acetoacetic Acid SCHEMBL6884059 0.86 GPR84 (0.52) FNTAFNTBGPR84FFAR1FFAR4
Acetoacetic Acid SCHEMBL6146971 0.86 GPR84 (0.52) FNTAFNTBGPR84FFAR1FFAR4

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
WO-2006024885-A1 PROCESS FOR THE PREPARATION OF POLYISOCYANATE/POLYSILICIC ACID BASED POLYADDITION AND HYBRID RESINS USING BLOCKED POLYISO-CYANATES AND BLOCKED POLYISOCYANATES USABLE IN THE PROCESS POLINVENT FEJLESZTO, KIVITELEZO ÉS ÉRTÉKESÍTO KFT (HU) 2006-03-09 WO claimed