SCHEMBL29750753

SCHEMBL29750753

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

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MDM4 O15151 3/20 0.51
▸ TP53 P04637 3/20 0.51
▸ CASP3 P42574 3/20 0.48
▸ KMT2A Q03164 2/20 0.47
▸ PTPN1 P18031 3/20 0.47
▸ SLC17A5 Q9NRA2 1/20 0.45
▸ FDFT1 P37268 1/20 0.45
▸ MDM2 Q00987 2/20 0.45

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
SCHEMBL29391787 0.96 MDM4 (0.51) MDM4TP53CASP3KMT2APTPN1
SCHEMBL30096349 0.91 CASP3 (0.54) MDM4TP53CASP3KMT2APTPN1
SCHEMBL29774265 0.89 PTPN1 (0.54) MDM4TP53PTPN1
SCHEMBL29908070 0.89 MDM4 (0.58) MDM4TP53CASP3KMT2ASLC17A5
SCHEMBL2309917 0.89 MDM4 (0.58) MDM4TP53CASP3KMT2ASLC17A5
SCHEMBL119442 0.89 MDM4 (0.58) MDM4TP53CASP3KMT2ASLC17A5
SCHEMBL29401991 0.89 MDM4 (0.58) MDM4TP53CASP3KMT2ASLC17A5
SCHEMBL119451 0.89 MDM4 (0.58) MDM4TP53CASP3KMT2ASLC17A5
SCHEMBL29370319 0.89 MDM4 (0.58) MDM4TP53CASP3KMT2ASLC17A5
SCHEMBL31398357 0.89 MDM4 (0.60) MDM4TP53CASP3KMT2ASLC17A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114685614-B Solid-phase synthesis method of atosiban 湖北健翔生物制药有限公司 2024-07-12 — — CN disclosed
CN-115038711-B Synthesis method of atosiban 湖北健翔生物制药有限公司 2023-05-02 — — CN disclosed
CN-115461355-A Method for preparing atosiban 厦门胜泽泰医药科技有限公司 2022-12-09 — — CN disclosed
CN-115038711-A Synthetic method of atosiban 湖北健翔生物制药有限公司 2022-09-09 — — CN disclosed
CN-114685614-A Solid-phase synthesis method of atosiban 湖北健翔生物制药有限公司 2022-07-01 — — CN disclosed
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