SCHEMBL8013142

SCHEMBL8013142

CC(C)(CC(=O)OCC1c2ccccc2-c2ccccc21)OC=O

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
FABP5 Q01469 3/20 0.42
FABP7 O15540 2/20 0.42
CASP3 P42574 4/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
EPHX2 P34913 1/20 0.41
CYP1A2 P05177 1/20 0.38

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
SCHEMBL4690511 0.86 KMT2A (0.47) KMT2AFABP5FABP7CASP3CA1
SCHEMBL8178563 0.84 KMT2A (0.43) KMT2AFABP5FABP7CASP3CA1
SCHEMBL31047777 0.83 KMT2A (0.44) KMT2AFABP5FABP7CASP3CA1
SCHEMBL28458423 0.83 KMT2A (0.44) KMT2AFABP5FABP7CASP3CA1
SCHEMBL27872882 0.82 KMT2A (0.48) KMT2AFABP5FABP7CASP3CA1
SCHEMBL26941528 0.82 KMT2A (0.48) KMT2AFABP5FABP7CASP3CA1
SCHEMBL31540857 0.81 KMT2A (0.50) KMT2AFABP5FABP7CASP3CA1
SCHEMBL4263538 0.81 KMT2A (0.51) KMT2AFABP5FABP7CASP3CA1
Hydrochloric Acid SCHEMBL31540856 0.80 KMT2A (0.49) KMT2AFABP5FABP7CASP3CA1
SCHEMBL4284636 0.80 KMT2A (0.46) KMT2AFABP5FABP7CASP3CA1

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
EP-0643056-B1 Process for the stereospecific preparation of 1,3-dioxan-4,6-dion derivatives, precursors of chiral tetramic acids derivatives ISOCHEM SA (FR) 2000-02-16 EP claimed