SCHEMBL30425912

SCHEMBL30425912

CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OC(C)(C)C)cc1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 8/20 0.51
▸ GRB2 P62993 1/20 0.49
▸ CTSL P07711 1/20 0.48
▸ CTSK P43235 1/20 0.48
▸ MDM2 Q00987 2/20 0.48
▸ REN P00797 1/20 0.45

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
SCHEMBL30424739 0.95 PTPN1 (0.47) PTPN1GRB2CTSLCTSKMDM2
SCHEMBL30426181 0.92 MDM2 (0.52) PTPN1GRB2MDM2
SCHEMBL30425446 0.91 PTPN1 (0.46) PTPN1GRB2REN
SCHEMBL16870002 0.90 MDM2 (0.52) PTPN1CTSLCTSKMDM2
SCHEMBL30193389 0.90 MDM2 (0.52) PTPN1CTSLCTSKMDM2
SCHEMBL30193403 0.90 MDM2 (0.52) PTPN1CTSLCTSKMDM2
SCHEMBL18421240 0.90 MDM2 (0.52) PTPN1CTSLCTSKMDM2
SCHEMBL16870156 0.90 MDM2 (0.52) PTPN1CTSLCTSKMDM2
SCHEMBL29129170 0.89 PTPN1 (0.51) PTPN1GRB2REN
SCHEMBL29129167 0.89 PTPN1 (0.51) PTPN1GRB2REN

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-2023090935-A1 METHOD FOR PRODUCING AGM PEPTIDES THAT BIND SPECIFICALLY TO NUCLEOLIN 애니젠 주식회사 2023-05-25 — — WO disclosed
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