SCHEMBL24580474

SCHEMBL24580474

CC(C)[C@H](NC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OC(c1ccccc1)(c1ccc(C2CCCCCCCC2)cc1)c1ccccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 2/20 0.37
▸ CCR1 P32246 7/20 0.36
▸ KMT2A Q03164 1/20 0.34
▸ MDM4 O15151 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ OPRD1 P41143 1/20 0.33
▸ TAOK1 Q7L7X3 1/20 0.33
▸ TAOK3 Q9H2K8 1/20 0.33

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
SCHEMBL24579138 0.87 KMT2A (0.39) KMT2AMDM4TP53OPRD1TAOK1
SCHEMBL23220747 0.86 CASP3 (0.38) CASP3CCR1MDM4TP53
SCHEMBL24358309 0.86 CASP3 (0.38) CASP3CCR1MDM4TP53
SCHEMBL24358308 0.86 CASP3 (0.38) CASP3CCR1MDM4TP53
SCHEMBL24579231 0.84 CASP3 (0.37) CASP3CCR1MDM4TP53
SCHEMBL23056550 0.83 CASP3 (0.38) CASP3CCR1MDM4TP53
SCHEMBL23056549 0.83 CASP3 (0.38) CASP3CCR1MDM4TP53
SCHEMBL23156917 0.83 CASP3 (0.38) CASP3CCR1MDM4TP53
SCHEMBL23056431 0.83 CASP3 (0.38) CASP3CCR1MDM4TP53
SCHEMBL25658636 0.83 CASP3 (0.38) CASP3CCR1MDM4TP53

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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