SCHEMBL28557416

SCHEMBL28557416

COC(=O)[C@H](C)NC(=O)[C@H](COC(C)(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MDM4 O15151 2/20 0.45
▸ TP53 P04637 2/20 0.45
▸ CASP3 P42574 2/20 0.43
▸ PTPN1 P18031 1/20 0.43
▸ KMT2A Q03164 2/20 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
SCHEMBL28557417 1.00 MDM4 (0.45) MDM4TP53CASP3PTPN1KMT2A
SCHEMBL15452758 0.91 MDM4 (0.47) MDM4TP53CASP3PTPN1KMT2A
SCHEMBL8123186 0.91 MDM4 (0.47) MDM4TP53CASP3PTPN1KMT2A
SCHEMBL29480487 0.89 CTSK (0.51) MDM4TP53PTPN1
SCHEMBL12677569 0.89 MDM4 (0.49) MDM4TP53CASP3KMT2A
SCHEMBL30562127 0.88 MDM4 (0.53) MDM4TP53CASP3
SCHEMBL1414120 0.86 KMT2A (0.49) MDM4TP53CASP3PTPN1KMT2A
SCHEMBL1414123 0.86 KMT2A (0.49) MDM4TP53CASP3PTPN1KMT2A
SCHEMBL29598621 0.86 MDM2 (0.45) MDM4TP53CASP3KMT2A
SCHEMBL17446658 0.85 MDM4 (0.46) MDM4TP53CASP3PTPN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112851536-B Method for constructing amide bond by clicking pyrimidine condensing agent and application of method in amide and polypeptide synthesis 兰州大学 2022-02-25 — — CN disclosed
CN-112851536-A Method for constructing amide bond by clicking pyrimidine condensing agent and application of method in amide and polypeptide synthesis 兰州大学 2021-05-28 — — CN disclosed
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