Acetoacetic Acid

Acetoacetic Acid

SCHEMBL7876692

CC(=O)CC(=O)O.FC(F)(F)Nc1ccccc1

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
NAPRT Q6XQN6 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PDK1 Q15118 2/20 0.42
PDK2 Q15119 2/20 0.42
PDK3 Q15120 2/20 0.42
PDK4 Q16654 2/20 0.42
TSHR P16473 2/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX5 P09917 1/20 0.41
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
HIF1A Q16665 1/20 0.40
RECQL P46063 1/20 0.40
POLB P06746 2/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL412378 0.79 ALDH1A1 (0.45) MAPTHSD17B10PDK1PDK2PDK3
Water SCHEMBL6244808 0.77 ALDH1A1 (0.43) MAPTHSD17B10PDK1PDK2PDK3
Hydrochloric Acid SCHEMBL1768868 0.77 ALDH1A1 (0.43) MAPTHSD17B10PDK1PDK2PDK3
Fluoride SCHEMBL5178837 0.77 ALDH1A1 (0.43) MAPTHSD17B10PDK1PDK2PDK3
Hydrochloric Acid SCHEMBL7518126 0.77 ALDH1A1 (0.43) MAPTHSD17B10PDK1PDK2PDK3
Iodide SCHEMBL30460417 0.77 ALDH1A1 (0.43) MAPTHSD17B10PDK1PDK2PDK3
Acetanilide SCHEMBL28050037 0.77 NAPRT (0.76) MAPTNAPRTHSD17B10TSHRKMT2A
Acetoacetic Acid SCHEMBL28005314 0.76 CES1 (0.68)
Acetoacetic Acid SCHEMBL29142078 0.76 ALDH1A1 (0.45) MAPTNAPRTHSD17B10CYP3A4ALDH1A1
Biphenyl SCHEMBL8077261 0.76 SMN1; SMN2 (0.52) MAPTHSD17B10TSHRALDH1A1KDM4E

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6331555-B1 EVALUATING SUSCEPTIBILITY OF CANCER TO COMPOUNDS WHICH INHIBIT PLATELET DERIVED GROWTH FACTOR RECEPTOR ACTIVITY UNIVERSITY OF CALIFORNIA 2001-12-18 US disclosed
EP-1000617-A2 Treatment of platelet derived growth factor related disorders such as cancers using inhibitors of platelet derived growth receptor Sugen, Inc. (US) 2000-05-17 EP disclosed
US-5990141-A ADMINISTERING 5-METHYL-ISOXAZOLE-4-CARBOXYLIC ACID-N-(4-TRIFLUOROMETHYL)ANILIDE OR 2-CYANO-3-HYDROXY-N-(4-TRIFLUORO-METHYL)PHENYL-2-BUTENAMIDE; ANTITUMOR,-CARCINOGENIC AND PROLIFERATIVE AGENTS; KINASE INHIBITORS SUGEN INC. (US) 1999-11-23 US disclosed
US-5958959-A ADMINISTERING 5-METHYLISOXAZOLE-4-CARBOXYLIC ACID-(4-TRIFLUOROMETHYL)ANILIDE OR 2-CYANO-3-HYDROXY-N-(4-(TRIFLUOROMETHYL)PHENYL)-2-BUTENAMIDE SUGEN, INC. (US) 1999-09-28 US disclosed
US-5932602-A ANTIGROWTH AGENTS; ANTITUMOR AGENT; USING AN ISOOXIDAZOLE COMPOUND SUGEN, INC. (US) 1999-08-03 US disclosed
US-5700822-A ADMINISTERING TO THE PATIENT AN EFFECTIVE AMOUNT OF ISOXAZOLE AMIDE DERIVATIOVE AND CYANO, HYDROXY, AROMATIC AMIDE DERIVATIVE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1997-12-23 US disclosed
US-5700823-A ADMINISTERING 5-METHYLISOXAZOLE-4-CARBOXYLIC ACID-(4-TRIFLUOROMETHYL)-ANILIDE OR N-(4-TRIFLUOROMETHYLPHENYL)-2-CYANO-3-HYDROXYCROTONAMIDE SUGEN, INC. (US) 1997-12-23 US disclosed