SCHEMBL24580430

SCHEMBL24580430

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

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 4/20 0.37
▸ KMT2A Q03164 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.32
▸ CASP1 P29466 2/20 0.32
▸ MDM4 O15151 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ TLR2 O60603 1/20 0.31

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
SCHEMBL30640789 1.00 CASP3 (0.37) CASP3KMT2ANPSR1CASP1MDM4
SCHEMBL24579187 1.00 CASP3 (0.37) CASP3KMT2ANPSR1CASP1MDM4
SCHEMBL30861946 0.87 CASP3 (0.36) CASP3KMT2ANPSR1
SCHEMBL24579779 0.87 CASP3 (0.36) CASP3KMT2ANPSR1
SCHEMBL30640784 0.87 CASP3 (0.36) CASP3KMT2ANPSR1
SCHEMBL24580457 0.87 CASP3 (0.36) CASP3KMT2ANPSR1
SCHEMBL24579780 0.87 CASP3 (0.36) CASP3KMT2ANPSR1
SCHEMBL24580442 0.87 CASP3 (0.36) CASP3KMT2ANPSR1
SCHEMBL24579184 0.87 CASP3 (0.45) CASP3KMT2AMDM4TP53
SCHEMBL24579736 0.87 CASP3 (0.45) CASP3KMT2AMDM4TP53

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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