SCHEMBL7920813

SCHEMBL7920813

O=C(O)C[C@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)C[C@@H]1CC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
FABP5 Q01469 3/20 0.46
FABP7 O15540 2/20 0.46
TSHR P16473 1/20 0.42
EPHX2 P34913 1/20 0.41
F10 P00742 2/20 0.41
CASP3 P42574 2/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
MDM4 O15151 1/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37

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
SCHEMBL7920816 1.00 KMT2A (0.46) KMT2AFABP5FABP7TSHREPHX2
SCHEMBL7926629 0.86 KMT2A (0.46) KMT2AFABP5FABP7TSHREPHX2
SCHEMBL6855032 0.86 KMT2A (0.46) KMT2AFABP5FABP7TSHREPHX2
SCHEMBL12292636 0.85 FABP5 (0.45) KMT2AFABP5FABP7TSHREPHX2
SCHEMBL119453 0.85 FABP5 (0.52) KMT2AFABP5FABP7TSHREPHX2
SCHEMBL28891959 0.83 KMT2A (0.46) KMT2AFABP5FABP7TSHREPHX2
SCHEMBL14438582 0.83 KMT2A (0.43) KMT2AFABP5FABP7TSHREPHX2
SCHEMBL12292634 0.83 KMT2A (0.43) KMT2AFABP5FABP7TSHREPHX2
SCHEMBL6375144 0.82 FABP5 (0.53) KMT2AFABP5FABP7TSHREPHX2
SCHEMBL30422339 0.82 KMT2A (0.43) KMT2AFABP5FABP7TSHREPHX2

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
US-6184389-B1 FEATURE A PLURALITY OF FUNCTIONAL GROUPS ATTACHED TO BACKBONE AND PHOSPHORAMIDATE SITES ISIS PHARMACEUTICALS, INC. 2001-02-06 US disclosed