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Sugi Predict / Compounds / SCHEMBL29812637

SCHEMBL29812637

SCHEMBL29812637

O=C(N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)N1C[C@H](O)C[C@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MDM4 O15151 2/20 0.43
▸ TP53 P04637 2/20 0.43
▸ MDM2 Q00987 5/20 0.40
▸ KMT2A Q03164 1/20 0.38
▸ SLC17A5 Q9NRA2 1/20 0.38
▸ CASP3 P42574 1/20 0.37

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
SCHEMBL30962356 0.86 PRCP (0.46) MDM4TP53MDM2KMT2A
SCHEMBL30262995 0.84 MDM4 (0.44) MDM4TP53MDM2KMT2ACASP3
SCHEMBL25817017 0.84 MDM4 (0.44) MDM4TP53MDM2KMT2ACASP3
SCHEMBL29402078 0.84 MDM4 (0.44) MDM4TP53MDM2KMT2ACASP3
SCHEMBL29560536 0.81 MDM4 (0.55) MDM4TP53MDM2KMT2ASLC17A5
SCHEMBL29395463 0.81 MDM4 (0.55) MDM4TP53MDM2KMT2ASLC17A5
SCHEMBL5998507 0.81 MDM4 (0.55) MDM4TP53MDM2KMT2ASLC17A5
SCHEMBL1738641 0.81 MDM4 (0.55) MDM4TP53MDM2KMT2ASLC17A5
SCHEMBL29503847 0.81 MDM4 (0.55) MDM4TP53MDM2KMT2ASLC17A5
SCHEMBL3436122 0.81 MDM4 (0.55) MDM4TP53MDM2KMT2ASLC17A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022111713-A1 POLYPEPTIDE CONTAINING DISULFIDE BONDS AND CAPABLE OF INHIBITING ACTIVITY OF SERINE PROTEASE, DERIVED HYBRID PEPTIDE THEREOF, AND USE THEREOF 中国医学科学院药物研究所 2022-06-02 — — WO disclosed
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