SCHEMBL24580484

SCHEMBL24580484

CC(C)(C)OC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC(=O)OC(c1ccccc1)(c1ccc(C2CCCCCC2)cc1)c1ccccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MDM4 O15151 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ TLR2 O60603 6/20 0.36
▸ BACE1 P56817 1/20 0.35
▸ MDM2 Q00987 1/20 0.34

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
SCHEMBL24580495 0.87 MDM4 (0.34) MDM4TP53TLR2MDM2
SCHEMBL23157111 0.87 MDM4 (0.41) MDM4TP53BACE1MDM2
SCHEMBL24579138 0.86 KMT2A (0.39) MDM4TP53TLR2
SCHEMBL29696728 0.84 MDM4 (0.47) MDM4TP53TLR2BACE1MDM2
SCHEMBL23056431 0.84 CASP3 (0.38) MDM4TP53MDM2
SCHEMBL23156917 0.84 CASP3 (0.38) MDM4TP53MDM2
SCHEMBL25658641 0.84 CASP3 (0.38) MDM4TP53MDM2
SCHEMBL23056550 0.84 CASP3 (0.38) MDM4TP53MDM2
SCHEMBL23056549 0.84 CASP3 (0.38) MDM4TP53MDM2
SCHEMBL25658636 0.84 CASP3 (0.38) MDM4TP53MDM2

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-2022138891-A1 METHOD FOR PRODUCING PEPTIDE COMPOUND CONTAINING N-SUBSTITUTED-AMINO ACID RESIDUE 中外製薬株式会社 2022-06-30 — — WO disclosed
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