SCHEMBL30854487

SCHEMBL30854487

O=C(N[C@@H](COCc1noc(=O)[nH]1)C(=O)O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MDM4 O15151 3/20 0.49
▸ TP53 P04637 3/20 0.49
▸ TNF P01375 3/20 0.47
▸ SLC17A5 Q9NRA2 1/20 0.46
▸ TLR2 O60603 2/20 0.43
▸ MDM2 Q00987 5/20 0.43
▸ CASP3 P42574 2/20 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
SCHEMBL22092095 1.00 MDM4 (0.49) MDM4TP53TNFSLC17A5TLR2
SCHEMBL22092096 1.00 MDM4 (0.49) MDM4TP53TNFSLC17A5TLR2
SCHEMBL28666112 0.89 MDM4 (0.52) MDM4TP53TNFSLC17A5TLR2
SCHEMBL28666114 0.89 MDM4 (0.52) MDM4TP53TNFSLC17A5TLR2
SCHEMBL21837974 0.87 MDM4 (0.50) MDM4TP53SLC17A5TLR2MDM2
SCHEMBL21837976 0.87 MDM4 (0.50) MDM4TP53SLC17A5TLR2MDM2
SCHEMBL8892048 0.82 MDM4 (0.60) MDM4TP53TNFTLR2MDM2
SCHEMBL3366333 0.81 TNF (0.59) MDM4TP53TNFSLC17A5TLR2
SCHEMBL120685 0.81 TNF (0.59) MDM4TP53TNFSLC17A5TLR2
SCHEMBL31186620 0.81 TNF (0.59) MDM4TP53TNFSLC17A5TLR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118184532-A Amino acid having functional group capable of forming intramolecular hydrogen bond, peptide compound containing the amino acid, and process for producing the same 中外制药株式会社 2024-06-14 — — CN disclosed
CN-113454058-B Amino acid having functional group capable of forming intramolecular hydrogen bond, peptide compound containing the amino acid, and process for producing the same 中外制药株式会社 2024-03-22 — — CN disclosed
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