SCHEMBL29157252

SCHEMBL29157252

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

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
FABP5 Q01469 3/20 0.39
FABP7 O15540 2/20 0.39
CASP3 P42574 1/20 0.37
PTPN1 P18031 2/20 0.36
EPHX2 P34913 1/20 0.35
MDM4 O15151 1/20 0.35
TP53 P04637 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35

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
SCHEMBL4594819 0.91 FABP5 (0.43) KMT2AFABP5FABP7CASP3EPHX2
SCHEMBL27264009 0.89 FABP5 (0.42) KMT2AFABP5FABP7CASP3EPHX2
SCHEMBL29000425 0.86 KMT2A (0.46) KMT2AFABP5FABP7CASP3EPHX2
SCHEMBL31520502 0.85 CTSK (0.41) KMT2AFABP5FABP7PTPN1
SCHEMBL9449594 0.84 KMT2A (0.43) KMT2AFABP5FABP7CASP3PTPN1
SCHEMBL31732619 0.83 FABP5 (0.43) KMT2AFABP5FABP7CASP3EPHX2
SCHEMBL29908641 0.83 FABP5 (0.43) KMT2AFABP5FABP7CASP3EPHX2
SCHEMBL30896130 0.83 FABP5 (0.43) KMT2AFABP5FABP7CASP3EPHX2
SCHEMBL3728170 0.83 FABP5 (0.43) KMT2AFABP5FABP7CASP3EPHX2
SCHEMBL119027 0.83 FABP5 (0.43) KMT2AFABP5FABP7CASP3EPHX2

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-117545850-A Method for ligating polypeptide and oligonucleotide 南洋理工大学 2024-02-09 CN disclosed