SCHEMBL24414220

SCHEMBL24414220

C[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)C(C)(C)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 4/20 0.43
▸ CMA1 P23946 6/20 0.40
▸ F2 P00734 1/20 0.39
▸ MDM4 O15151 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ ELANE P08246 1/20 0.38

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
SCHEMBL24414109 0.88 KMT2A (0.48) CASP3F2KMT2A
SCHEMBL30517416 0.86 ITGB3 (0.43) CASP3F2MDM4TP53KMT2A
SCHEMBL24414250 0.84 ELANE (0.37) CASP3CMA1F2KMT2AELANE
SCHEMBL30429508 0.81 OPRM1 (0.48) CMA1
SCHEMBL24414218 0.80 MDM4 (0.32) CASP3CMA1F2MDM4TP53
SCHEMBL30116837 0.77 F2 (0.45) F2TP53KMT2A
SCHEMBL8923645 0.76 CMA1 (0.47) CMA1ELANE
SCHEMBL29413336 0.76 CTRB1 (0.49) F2KMT2A
SCHEMBL30317756 0.76 CTRB1 (0.49) F2KMT2A
SCHEMBL8902510 0.76 CTRB1 (0.49) F2KMT2A

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
WO-2023214577-A1 PEPTIDE SYNTHESIS METHOD FOR SUPPRESSING DEFECT CAUSED BY DIKETOPIPERAZINE FORMATION 中外製薬株式会社 2023-11-09 — — WO disclosed
WO-2022097540-A1 PEPTIDE SYNTHESIS METHOD FOR SUPPRESSING DEFECT CAUSED BY DIKETOPIPERAZINE FORMATION 中外製薬株式会社 2022-05-12 — — WO disclosed
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