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Sugi Predict / Compounds / SCHEMBL31472817

SCHEMBL31472817

SCHEMBL31472817

CC(NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)C(=O)N[C@@H](CCC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)C(=O)N[C@@H](Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)C(=O)N[C@@H](Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)C(=O)O)=C1C(=O)CC(C)(C)CC1=O

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 8/20 0.39
▸ MDM2 Q00987 2/20 0.37
▸ GRB2 P62993 1/20 0.36
▸ MDM4 O15151 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ NMBR P28336 1/20 0.35
▸ TLR2 O60603 1/20 0.34
▸ TLR1 Q15399 1/20 0.34

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
SCHEMBL31472825 1.00 PTPN1 (0.39) PTPN1MDM2GRB2MDM4TP53
SCHEMBL31472821 0.99 PTPN1 (0.39) PTPN1MDM2GRB2MDM4TP53
SCHEMBL31472832 0.90 PTPN1 (0.44) PTPN1MDM2GRB2MDM4TP53
SCHEMBL30134452 0.83 PTPN1 (0.44) PTPN1MDM2GRB2MDM4TP53
SCHEMBL29702381 0.81 MDM2 (0.49) MDM2MDM4TP53NMBRTLR2
SCHEMBL30343342 0.80 KMT2A (0.45) PTPN1MDM2TLR2TLR1
SCHEMBL29670271 0.79 MDM4 (0.49) PTPN1MDM2MDM4TP53NMBR
Hydrochloric Acid SCHEMBL31450109 0.79 MDM2 (0.44) MDM2MDM4TP53NMBRTLR2
SCHEMBL31002056 0.78 KMT2A (0.44) PTPN1MDM2TLR2TLR1
SCHEMBL19708205 0.76 MDM2 (0.47) MDM2MDM4TP53TLR2

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
CN-119775362-A High-efficiency low-toxicity anticancer short peptide using caproic acid lysine as modification unit and application thereof 兰州大学 2025-04-08 — — CN disclosed
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