SCHEMBL24579361

SCHEMBL24579361

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

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 6/20 0.47
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ CTSL P07711 1/20 0.40
▸ CTSB P07858 1/20 0.40
▸ CTSS P25774 1/20 0.40
▸ GZMB P10144 1/20 0.39
▸ LMNA P02545 1/20 0.37
▸ PIN1 Q13526 1/20 0.37

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
SCHEMBL24579357 0.98 CASP3 (0.49) CASP3KMT2AMEN1CTSLCTSB
SCHEMBL30640773 0.98 CASP3 (0.49) CASP3KMT2AMEN1CTSLCTSB
SCHEMBL29696656 0.92 CASP3 (0.48) CASP3KMT2AMEN1CTSLCTSB
SCHEMBL24579478 0.91 CASP3 (0.49) CASP3KMT2ACTSLCTSBCTSS
SCHEMBL24579477 0.88 CASP3 (0.45) CASP3KMT2AMEN1CTSLCTSB
SCHEMBL24579358 0.87 CASP3 (0.51) CASP3KMT2ACTSLCTSBCTSS
SCHEMBL24580479 0.87 CASP3 (0.45) CASP3KMT2ACTSLCTSBCTSS
SCHEMBL24579314 0.85 CASP3 (0.50) CASP3KMT2A
SCHEMBL29696612 0.85 CASP3 (0.50) CASP3KMT2A
SCHEMBL24579474 0.84 CASP3 (0.47) CASP3KMT2AMEN1CTSLCTSB

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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