SCHEMBL13981720

SCHEMBL13981720

CC(O)COC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
FABP5 Q01469 3/20 0.46
FABP7 O15540 2/20 0.46
EPHX2 P34913 1/20 0.44
CASP3 P42574 3/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42

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
SCHEMBL44676 0.86 KMT2A (0.58) KMT2AFABP5FABP7EPHX2CASP3
SCHEMBL15119354 0.83 KMT2A (0.60) KMT2AFABP5FABP7EPHX2CASP3
SCHEMBL20903881 0.81 KMT2A (0.51) KMT2AFABP5FABP7EPHX2CASP3
SCHEMBL768971 0.80 KMT2A (0.52) KMT2AFABP5FABP7EPHX2CASP3
SCHEMBL15058849 0.79 KMT2A (0.55) KMT2AFABP5FABP7EPHX2CASP3
SCHEMBL10201861 0.79 KMT2A (0.49) KMT2AFABP5FABP7EPHX2CASP3
SCHEMBL6444593 0.78 KMT2A (0.51) KMT2AFABP5FABP7EPHX2CASP3
SCHEMBL30341743 0.78 KMT2A (0.49) KMT2AFABP5FABP7EPHX2CASP3
SCHEMBL30430376 0.78 KMT2A (0.43) KMT2AFABP5FABP7EPHX2CASP3
SCHEMBL6323147 0.77 KMT2A (0.56) KMT2AFABP5FABP7EPHX2CASP3

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-2008151089-A2 FLUORESCENT PHOSPHOLIPASE A2 INDICATORS INVITROGEN CORPORATION (US) 2008-12-11 WO disclosed