SCHEMBL24579474

SCHEMBL24579474

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

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 6/20 0.47
▸ KMT2A Q03164 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ PIN1 Q13526 1/20 0.37
▸ CTSL P07711 2/20 0.36
▸ CTSB P07858 2/20 0.36
▸ CTSS P25774 2/20 0.36
▸ MDM4 O15151 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ CTSK P43235 1/20 0.36

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
SCHEMBL29697659 1.00 CASP3 (0.47) CASP3KMT2AMEN1PIN1CTSL
SCHEMBL24579477 0.97 CASP3 (0.45) CASP3KMT2AMEN1PIN1CTSL
SCHEMBL29696743 0.94 CASP3 (0.47) CASP3KMT2AMEN1PIN1CTSL
SCHEMBL24579358 0.87 CASP3 (0.51) CASP3KMT2APIN1CTSLCTSB
SCHEMBL24580372 0.86 CASP3 (0.48) CASP3KMT2AMDM4TP53
SCHEMBL29696651 0.86 CASP3 (0.48) CASP3KMT2AMDM4TP53
SCHEMBL26605906 0.86 CASP3 (0.48) CASP3KMT2AMDM4TP53
SCHEMBL30640773 0.85 CASP3 (0.49) CASP3KMT2AMEN1PIN1CTSL
SCHEMBL24579357 0.85 CASP3 (0.49) CASP3KMT2AMEN1PIN1CTSL
SCHEMBL24579478 0.84 CASP3 (0.49) CASP3KMT2APIN1CTSLCTSB

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
EP-4269422-A1 METHOD FOR PRODUCING PEPTIDE COMPOUND CONTAINING N-SUBSTITUTED-AMINO ACID RESIDUE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-11-01 — — EP disclosed
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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