SCHEMBL31564904

SCHEMBL31564904

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 8/20 0.56
▸ TLR2 O60603 2/20 0.47
▸ CASP3 P42574 3/20 0.46
▸ CASP1 P29466 1/20 0.46
▸ CASP9 P55211 1/20 0.46
▸ CTSB P07858 1/20 0.45
▸ CTSK P43235 1/20 0.45
▸ MDM2 Q00987 1/20 0.45
▸ REN P00797 1/20 0.44

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
SCHEMBL30656185 0.92 CASP3 (0.51) PTPN1CASP3CTSBCTSKREN
SCHEMBL29431036 0.91 CASP3 (0.53) PTPN1TLR2CASP3MDM2
SCHEMBL29650794 0.90 PTPN1 (0.60) PTPN1TLR2
SCHEMBL29722079 0.89 PTPN1 (0.49) PTPN1REN
SCHEMBL30804341 0.89 MME (0.53) CASP3CTSB
SCHEMBL30544616 0.88 PTPN1 (0.49) PTPN1CASP3CTSBCTSKREN
SCHEMBL30163429 0.88 PTPN1 (0.56) PTPN1TLR2CASP3CTSBCTSK
SCHEMBL29414973 0.87 PTPN1 (0.60) PTPN1TLR2CASP3
SCHEMBL31364175 0.86 F2 (0.51) PTPN1TLR2CTSBCTSK
SCHEMBL30069018 0.86 PTPN1 (0.48) PTPN1CASP3CTSBCTSKMDM2

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-119930788-A Preparation method of Retatrutide 四川吉晟生物医药有限公司 2025-05-06 — — CN disclosed
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