SCHEMBL29777551

SCHEMBL29777551

NC(=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MDM4 O15151 2/20 0.47
▸ TP53 P04637 2/20 0.47
▸ SLC17A5 Q9NRA2 1/20 0.47
▸ PTPN1 P18031 5/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ CASP3 P42574 3/20 0.44
▸ MDM2 Q00987 1/20 0.42
▸ GRB2 P62993 1/20 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
SCHEMBL3436122 0.91 MDM4 (0.55) MDM4TP53SLC17A5KMT2ACASP3
SCHEMBL29560536 0.91 MDM4 (0.55) MDM4TP53SLC17A5KMT2ACASP3
SCHEMBL29503847 0.91 MDM4 (0.55) MDM4TP53SLC17A5KMT2ACASP3
SCHEMBL29395463 0.91 MDM4 (0.55) MDM4TP53SLC17A5KMT2ACASP3
SCHEMBL1738641 0.91 MDM4 (0.55) MDM4TP53SLC17A5KMT2ACASP3
SCHEMBL5998507 0.91 MDM4 (0.55) MDM4TP53SLC17A5KMT2ACASP3
SCHEMBL29483556 0.88 MDM4 (0.48) MDM4TP53SLC17A5PTPN1KMT2A
SCHEMBL29402146 0.86 MDM4 (0.49) MDM4TP53SLC17A5PTPN1KMT2A
SCHEMBL8159150 0.86 MDM4 (0.49) MDM4TP53SLC17A5PTPN1KMT2A
SCHEMBL29812711 0.86 MDM4 (0.48) MDM4TP53SLC17A5PTPN1KMT2A

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 4 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 claimed
WO-2022141615-A1 SYNTHESIS METHOD FOR ATOSIBAN 湖北健翔生物制药有限公司 2022-07-07 — — WO claimed
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
WO-2022141615-A1 SYNTHESIS METHOD FOR ATOSIBAN 湖北健翔生物制药有限公司 2022-07-07 — — WO disclosed
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