SCHEMBL4413972

SCHEMBL4413972

CN[C@@H](CC(C)C)C(=O)OC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
EPHX2 P34913 1/20 0.41
FABP5 Q01469 3/20 0.40
FABP7 O15540 2/20 0.40
PTPN1 P18031 2/20 0.40
CASP3 P42574 1/20 0.40
MDM4 O15151 1/20 0.38
TP53 P04637 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
SCHEMBL19517972 0.84 KMT2A (0.45) KMT2AEPHX2FABP5FABP7CASP3
SCHEMBL17935568 0.84 CASP3 (0.45) KMT2AEPHX2FABP5FABP7PTPN1
SCHEMBL30430376 0.84 KMT2A (0.43) KMT2AEPHX2FABP5FABP7CASP3
SCHEMBL19280973 0.82 KMT2A (0.45) KMT2AEPHX2FABP5FABP7CASP3
SCHEMBL9234192 0.80 KMT2A (0.43) KMT2AEPHX2FABP5FABP7CASP3
SCHEMBL30341743 0.79 KMT2A (0.49) KMT2AEPHX2FABP5FABP7CASP3
SCHEMBL31120791 0.79 PTPN1 (0.48) KMT2AEPHX2PTPN1CASP3MDM4
SCHEMBL15119354 0.78 KMT2A (0.60) KMT2AEPHX2FABP5FABP7CASP3
SCHEMBL15058849 0.78 KMT2A (0.55) KMT2AEPHX2FABP5FABP7CASP3
SCHEMBL9449368 0.77 PTPN1 (0.51) KMT2AEPHX2PTPN1CASP3MDM4

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-20090325314-A1 N-Methyl Scanning Mutagenesis UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2009-12-31 US disclosed