SCHEMBL31506327

SCHEMBL31506327

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

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 4/20 0.49
▸ MDM4 O15151 2/20 0.46
▸ TP53 P04637 2/20 0.46
▸ PIN1 Q13526 1/20 0.42
▸ SLC17A5 Q9NRA2 1/20 0.42
▸ MDM2 Q00987 1/20 0.42
▸ TNF P01375 1/20 0.42
▸ TLR2 O60603 1/20 0.41

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
SCHEMBL9183629 0.94 MDM4 (0.49) CASP3MDM4TP53SLC17A5MDM2
SCHEMBL30055074 0.93 CASP3 (0.44) CASP3MDM4TP53TNF
SCHEMBL30054654 0.91 CASP3 (0.46) CASP3MDM4TP53PIN1MDM2
SCHEMBL29375948 0.91 CASP3 (0.53) CASP3MDM4TP53PIN1SLC17A5
SCHEMBL30389967 0.90 CASP3 (0.50) CASP3MDM4TP53PIN1SLC17A5
SCHEMBL30414354 0.89 PTPN1 (0.42) CASP3MDM4TP53
SCHEMBL30054440 0.89 CASP3 (0.49) CASP3MDM4TP53
SCHEMBL30562127 0.87 MDM4 (0.53) CASP3MDM4TP53SLC17A5MDM2
SCHEMBL598209 0.87 MDM4 (0.56) CASP3MDM4TP53SLC17A5MDM2
SCHEMBL119565 0.87 MDM4 (0.56) CASP3MDM4TP53SLC17A5MDM2

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-119529056-A Solid phase preparation method of telipopeptide 福建基诺厚普生物科技有限公司 2025-02-28 — — CN disclosed
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