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Sugi Predict / Compounds / SCHEMBL25081912

SCHEMBL25081912

SCHEMBL25081912

C[S+]([O-])c1ccc(C(SC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)c2ccc([S+](C)[O-])cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MDM4 O15151 3/20 0.49
▸ TP53 P04637 3/20 0.49
▸ MDM2 Q00987 6/20 0.46
▸ SLC17A5 Q9NRA2 1/20 0.46
▸ CASP3 P42574 2/20 0.44
▸ TLR2 O60603 2/20 0.43
▸ ACE P12821 1/20 0.41

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
SCHEMBL29238560 0.93 MDM4 (0.42) MDM4TP53MDM2SLC17A5CASP3
SCHEMBL25081617 0.92 MDM4 (0.42) MDM4TP53MDM2SLC17A5CASP3
SCHEMBL25081616 0.89 MDM2 (0.44) MDM4TP53MDM2SLC17A5CASP3
SCHEMBL29402061 0.88 MDM4 (0.54) MDM4TP53MDM2SLC17A5CASP3
SCHEMBL29398288 0.88 MDM4 (0.54) MDM4TP53MDM2SLC17A5CASP3
SCHEMBL29238562 0.87 ACE (0.42) MDM4TP53MDM2SLC17A5ACE
SCHEMBL30389933 0.87 ACE (0.42) MDM4TP53MDM2SLC17A5ACE
SCHEMBL31647183 0.86 MDM2 (0.56) MDM4TP53MDM2SLC17A5CASP3
SCHEMBL3436129 0.80 MDM4 (0.58) MDM4TP53MDM2SLC17A5CASP3
SCHEMBL1001473 0.80 MDM4 (0.58) MDM4TP53MDM2SLC17A5CASP3

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-2023021173-A1 PROCESS FOR THE PREPARATION OF PEGYLATED ADRENOMEDULLIN, ITS INTERMEDIATES AND USE THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2023-02-23 — — WO disclosed
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