SCHEMBL30749159

SCHEMBL30749159

N[C@@](CCCC(=O)O)(C(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.55
FABP5 Q01469 3/20 0.43
FABP7 O15540 2/20 0.43
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
EPHX2 P34913 1/20 0.39
CASP3 P42574 2/20 0.38
EGFR P00533 1/20 0.37
PTPN1 P18031 2/20 0.37
MDM4 O15151 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL27704397 0.92 KMT2A (0.51) KMT2AFABP5FABP7CA1CA2
SCHEMBL27587693 0.92 KMT2A (0.51) KMT2AFABP5FABP7CA1CA2
SCHEMBL27704394 0.92 KMT2A (0.51) KMT2AFABP5FABP7CA1CA2
SCHEMBL27724932 0.89 KMT2A (0.48) KMT2AFABP5FABP7CA1CA2
SCHEMBL30492079 0.89 KMT2A (0.48) KMT2AFABP5FABP7CA1CA2
SCHEMBL27724933 0.89 KMT2A (0.48) KMT2AFABP5FABP7CA1CA2
SCHEMBL30139101 0.88 KMT2A (0.47) KMT2AFABP5FABP7CA1CA2
SCHEMBL31049529 0.88 KMT2A (0.44) KMT2AFABP5FABP7CA1CA2
SCHEMBL1746631 0.88 KMT2A (0.44) KMT2AFABP5FABP7CA1CA2
SCHEMBL17541295 0.88 KMT2A (0.47) KMT2AFABP5FABP7CA1CA2

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
CN-117343142-A Leucine and lysine-rich high-efficiency low-toxicity anti-tumor peptide and application thereof 兰州大学 2024-01-05 CN disclosed