SCHEMBL6890079

SCHEMBL6890079

O=C1CCC2(CC1)OOC1(CCCCC1)O2

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 2/20 0.39
TRIM33 Q9UPN9 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MEN1 O00255 1/20 0.31
CYP2C9 P11712 1/20 0.31
KMT2A Q03164 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
SCHEMBL6890484 1.00 TRIM24 (0.39) TRIM24TRIM33ALDH1A1MEN1CYP2C9
SCHEMBL3309008 0.90 TRIM24 (0.43) TRIM24TRIM33ALDH1A1MEN1CYP2C9
SCHEMBL3304905 0.90 TRIM24 (0.43) TRIM24TRIM33ALDH1A1MEN1CYP2C9
SCHEMBL6882890 0.82
SCHEMBL6889421 0.79
SCHEMBL8603903 0.76 ALDH1A1 (0.46) TRIM24TRIM33ALDH1A1MEN1KMT2A
SCHEMBL515266 0.74 TRIM24 (0.47) TRIM24TRIM33ALDH1A1MEN1CYP2C9
SCHEMBL515401 0.74 TRIM24 (0.47) TRIM24TRIM33ALDH1A1MEN1CYP2C9
SCHEMBL136359 0.71 TRIM24 (0.44) TRIM24TRIM33ALDH1A1MEN1CYP2C9
SCHEMBL515798 0.70 TRIM24 (0.50) TRIM24TRIM33ALDH1A1MEN1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1414813-A1 1,2,4-TRIOXOLANE ANTIMALARIALS Medicines for Malaria Venture (CH) 2004-05-06 EP disclosed
WO-2003000676-A1 1,2,4-TRIOXOLANE ANTIMALARIALS MEDICINES FOR MALARIA VENTURE (CH) 2003-01-03 WO disclosed
US-6486199-B1 Spiro and dispiro 1,2,4-trioxolane antimalarials MEDICINES FOR MALARIA VENTURE MMV INTERNATIONAL CENTRE COINTRIN (CH) 2002-11-26 US disclosed