SCHEMBL24414109

SCHEMBL24414109

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

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.48
▸ CTRB1 P17538 1/20 0.48
▸ CASP3 P42574 3/20 0.44
▸ GFER P55789 1/20 0.44
▸ TSHR P16473 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ F2 P00734 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ CTSK P43235 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ RAB9A P51151 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
SCHEMBL29413336 0.88 CTRB1 (0.49) KMT2ACTRB1GFERTSHRALDH1A1
SCHEMBL8902510 0.88 CTRB1 (0.49) KMT2ACTRB1GFERTSHRALDH1A1
SCHEMBL30317756 0.88 CTRB1 (0.49) KMT2ACTRB1GFERTSHRALDH1A1
SCHEMBL24414220 0.88 CASP3 (0.43) KMT2ACASP3F2
SCHEMBL25404019 0.86 CTRB1 (0.48) KMT2ACTRB1GFERTSHRALDH1A1
SCHEMBL25404023 0.86 CTRB1 (0.48) KMT2ACTRB1GFERTSHRALDH1A1
SCHEMBL29211787 0.86 CTRB1 (0.48) KMT2ACTRB1GFERTSHRALDH1A1
SCHEMBL31500753 0.85 CTRB1 (0.47) KMT2ACTRB1GFERTSHRALDH1A1
SCHEMBL29413333 0.85 CTRB1 (0.46) KMT2ACTRB1TSHRALDH1A1GAA
SCHEMBL29521538 0.85 F2 (0.51) KMT2ACTRB1GFERTSHRALDH1A1

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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