SCHEMBL30749154

SCHEMBL30749154

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

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 3/20 0.55
▸ PTPN1 P18031 7/20 0.53
▸ MDM2 Q00987 4/20 0.51
▸ GRB2 P62993 1/20 0.47

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
SCHEMBL31138047 1.00 TLR2 (0.55) TLR2PTPN1MDM2GRB2
SCHEMBL29414974 1.00 TLR2 (0.55) TLR2PTPN1MDM2GRB2
SCHEMBL30424779 1.00 TLR2 (0.55) TLR2PTPN1MDM2GRB2
SCHEMBL31138058 0.95 PTPN1 (0.57) TLR2PTPN1MDM2GRB2
SCHEMBL30773477 0.94 CASP3 (0.53) TLR2PTPN1MDM2GRB2
SCHEMBL30397537 0.93 TLR2 (0.53) TLR2PTPN1MDM2GRB2
SCHEMBL31212512 0.92 TLR2 (0.59) TLR2PTPN1MDM2
SCHEMBL30346353 0.92 TLR2 (0.51) TLR2PTPN1MDM2GRB2
SCHEMBL30718998 0.91 TLR2 (0.54) TLR2PTPN1MDM2
SCHEMBL30395722 0.91 TLR2 (0.49) TLR2PTPN1MDM2GRB2

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-117343142-A Leucine and lysine-rich high-efficiency low-toxicity anti-tumor peptide and application thereof 兰州大学 2024-01-05 — — CN disclosed
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