SCHEMBL29402078

SCHEMBL29402078

NC(=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1C[C@H](O)C[C@H]1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MDM4 O15151 3/20 0.44
▸ TP53 P04637 3/20 0.44
▸ PIN1 Q13526 1/20 0.42
▸ CASP3 P42574 2/20 0.42
▸ KMT2A Q03164 1/20 0.41
▸ MDM2 Q00987 5/20 0.40

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
SCHEMBL30262995 1.00 MDM4 (0.44) MDM4TP53PIN1CASP3KMT2A
SCHEMBL25817017 1.00 MDM4 (0.44) MDM4TP53PIN1CASP3KMT2A
SCHEMBL22892703 0.85 MDM2 (0.40) MDM4TP53PIN1KMT2AMDM2
SCHEMBL28708945 0.85 MDM2 (0.40) MDM4TP53PIN1KMT2AMDM2
SCHEMBL25816905 0.84 MDM4 (0.42) MDM4TP53PIN1CASP3MDM2
SCHEMBL30517361 0.84 MDM4 (0.42) MDM4TP53PIN1CASP3MDM2
SCHEMBL30262997 0.84 MDM4 (0.42) MDM4TP53PIN1CASP3MDM2
SCHEMBL29812637 0.84 MDM4 (0.43) MDM4TP53CASP3KMT2AMDM2
SCHEMBL25817023 0.80 KMT2A (0.45) MDM4TP53CASP3KMT2A
SCHEMBL15966524 0.79 PTPN1 (0.42) MDM4TP53PIN1MDM2

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-115715294-A Method for synthesizing thioether-containing peptides 海德堡医药研究有限责任公司 2023-02-24 — — CN disclosed
CN-114080395-A Synthesis method of alpha-amanitine and derivatives thereof 纯生物有机有限公司 2022-02-22 — — CN disclosed
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