SCHEMBL7238935

SCHEMBL7238935

CCOC=CC(=O)CC(C)=O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.39
MGAM O43451 2/20 0.36
GAA P10253 2/20 0.36
SI P14410 2/20 0.36
MGAM2 Q2M2H8 2/20 0.36
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
POLB P06746 1/20 0.32
POLA1 P09884 1/20 0.32
HCAR2 Q8TDS4 1/20 0.30
TOP2A P11388 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
SCHEMBL7238928 1.00 CASP1 (0.39) CASP1MGAMGAASIMGAM2
SCHEMBL4534473 0.83 CASP1 (0.39) CASP1MGAMGAASIMGAM2
SCHEMBL4534469 0.83 CASP1 (0.39) CASP1MGAMGAASIMGAM2
SCHEMBL4464746 0.79
SCHEMBL4464742 0.79
SCHEMBL15167421 0.79 GAA (0.54) CASP1MGAMGAASIMGAM2
SCHEMBL5593767 0.79 GAA (0.54) CASP1MGAMGAASIMGAM2
SCHEMBL269751 0.77
SCHEMBL1878756 0.77
SCHEMBL24960413 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6552018-B1 As antitumor agents DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-04-22 US disclosed
EP-0838470-B1 9-N-ethenyl derivatives of 9(S)-erythromycylamine PLIVA PHARM & CHEM WORKS (HR) 2002-12-04 EP disclosed
US-6169086-B1 AN ANTITUMOR AGENT FOR TREATING TUMOR RESISTANT TO 5-FLUOROURACIL TYPE DRUGS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-01-02 US disclosed
EP-1022270-A1 PYRAZOLE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2000-07-26 EP disclosed
EP-0302016-A1 N-alkenoyl enamides, their preparation and their use CIBA-GEIGY AG (CH) 1989-02-01 EP disclosed
EP-0190265-A4 PYRIDONE ESTERS AS INOTROPIC AGENTS. AMERICAN HOSPITAL SUPPLY CORP (US) 1987-07-09 EP disclosed
US-4657919-A CARDIOVASCULAR DISORDERS E. I. DU PONT DE NEMOURS & CO. (US) 1987-04-14 US disclosed
EP-0190265-A1 PYRIDONE ESTERS AS INOTROPIC AGENTS. AMERICAN HOSPITAL SUPPLY CORP (US) 1986-08-13 EP disclosed
WO-1986001202-A1 PYRIDONE ESTERS AS INOTROPIC AGENTS AMERICAN HOSPITAL SUPPLY CORPORATION (US) 1986-02-27 WO disclosed
US-4555517-A Pyridone esters as inotropic agents AMERICAN HOSPITAL SUPPLY CORPORATION (US) 1985-11-26 US disclosed