SCHEMBL29706417

SCHEMBL29706417

CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 4/20 0.47
▸ MDM2 Q00987 4/20 0.43
▸ MDM4 O15151 2/20 0.43
▸ TP53 P04637 2/20 0.43
▸ PIN1 Q13526 1/20 0.42
▸ TLR2 O60603 1/20 0.39

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
SCHEMBL29692867 0.91 CASP3 (0.48) CASP3MDM2MDM4TP53PIN1
SCHEMBL29401938 0.87 MDM4 (0.54) CASP3MDM2MDM4TP53
SCHEMBL29908063 0.87 MDM4 (0.54) CASP3MDM2MDM4TP53
SCHEMBL1405811 0.87 MDM4 (0.54) CASP3MDM2MDM4TP53
SCHEMBL1405816 0.87 MDM4 (0.54) CASP3MDM2MDM4TP53
SCHEMBL1486208 0.87 MDM4 (0.54) CASP3MDM2MDM4TP53
SCHEMBL29353891 0.87 MDM4 (0.54) CASP3MDM2MDM4TP53
SCHEMBL29399772 0.87 MDM4 (0.54) CASP3MDM2MDM4TP53
SCHEMBL30241348 0.87 PTPN1 (0.46) MDM2MDM4TP53
Hydrochloric Acid SCHEMBL30912894 0.86 MDM4 (0.53) CASP3MDM2MDM4TP53TLR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117024480-A P-hydroxyphenylhydrazine compound phosphide and method for preparing Ang1-7 peptide compound assisted by same 西北工业大学 2023-11-10 — — CN disclosed
CN-116615436-A Disulfide bond-containing polypeptide with serine protease activity inhibiting function, hybrid peptide derived from disulfide bond-containing polypeptide and application of disulfide bond-containing polypeptide 中国医学科学院药物研究所 2023-08-18 — — CN disclosed
CN-114573686-A Polypeptide containing disulfide bond and having serine protease activity inhibition function and application thereof 中国医学科学院药物研究所 2022-06-03 — — CN disclosed
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