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SCHEMBL24579231

SCHEMBL24579231

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

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 4/20 0.37
▸ MDM4 O15151 2/20 0.36
▸ TP53 P04637 2/20 0.36
▸ FABP7 O15540 1/20 0.34
▸ FABP5 Q01469 1/20 0.34
▸ CCR1 P32246 1/20 0.34
▸ KIF11 P52732 1/20 0.33
▸ ACE P12821 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
SCHEMBL24414087 0.89 MDM4 (0.35) CASP3MDM4TP53FABP7FABP5
SCHEMBL24358308 0.87 CASP3 (0.38) CASP3MDM4TP53FABP7FABP5
SCHEMBL24358309 0.87 CASP3 (0.38) CASP3MDM4TP53FABP7FABP5
SCHEMBL23220747 0.87 CASP3 (0.38) CASP3MDM4TP53FABP7FABP5
SCHEMBL23056431 0.87 CASP3 (0.38) CASP3MDM4TP53FABP7FABP5
SCHEMBL23156917 0.87 CASP3 (0.38) CASP3MDM4TP53FABP7FABP5
SCHEMBL25658636 0.87 CASP3 (0.38) CASP3MDM4TP53FABP7FABP5
SCHEMBL23056550 0.87 CASP3 (0.38) CASP3MDM4TP53FABP7FABP5
SCHEMBL23056549 0.87 CASP3 (0.38) CASP3MDM4TP53FABP7FABP5
SCHEMBL25658641 0.87 CASP3 (0.38) CASP3MDM4TP53FABP7FABP5

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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