SCHEMBL31292141

SCHEMBL31292141

CC(C)(C)OC(=O)[C@@H](CCC(=O)ON1C(=O)CCC1=O)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MDM4 O15151 2/20 0.45
▸ TP53 P04637 2/20 0.45
▸ MDM2 Q00987 1/20 0.44
▸ TLR2 O60603 2/20 0.42
▸ CASP3 P42574 1/20 0.41
▸ BACE1 P56817 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
SCHEMBL29511122 1.00 MDM4 (0.45) MDM4TP53MDM2TLR2CASP3
SCHEMBL20732314 1.00 MDM4 (0.45) MDM4TP53MDM2TLR2CASP3
SCHEMBL16412291 1.00 MDM4 (0.45) MDM4TP53MDM2TLR2CASP3
SCHEMBL30025559 1.00 MDM4 (0.45) MDM4TP53MDM2TLR2CASP3
SCHEMBL30097312 1.00 MDM4 (0.45) MDM4TP53MDM2TLR2CASP3
SCHEMBL20732317 0.97 TLR2 (0.43) MDM4TP53MDM2TLR2CASP3
SCHEMBL29511192 0.97 TLR2 (0.43) MDM4TP53MDM2TLR2CASP3
SCHEMBL29423583 0.93 MDM2 (0.44) MDM4TP53MDM2TLR2BACE1
SCHEMBL12658043 0.93 MDM2 (0.44) MDM4TP53MDM2TLR2BACE1
SCHEMBL30412459 0.93 MDM2 (0.44) MDM4TP53MDM2TLR2BACE1

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
CN-113412271-B Having cysteine residues Hamiltelin derivatives of (C) 住友制药株式会社 2024-10-22 — — CN disclosed
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