SCHEMBL30397179

SCHEMBL30397179

CC(C)C[C@H](NC(=O)[C@H](CS)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 8/20 0.55
▸ GRB2 P62993 1/20 0.44
▸ MDM2 Q00987 2/20 0.40
▸ MDM4 O15151 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ FDFT1 P37268 1/20 0.39
▸ TLR2 O60603 1/20 0.39

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
SCHEMBL30396468 1.00 PTPN1 (0.55) PTPN1GRB2MDM2MDM4TP53
SCHEMBL30397976 1.00 PTPN1 (0.55) PTPN1GRB2MDM2MDM4TP53
SCHEMBL29937064 0.95 PTPN1 (0.47) PTPN1MDM2MDM4TP53FDFT1
SCHEMBL29937114 0.95 PTPN1 (0.47) PTPN1MDM2MDM4TP53FDFT1
SCHEMBL29936762 0.91 PTPN1 (0.50) PTPN1MDM2MDM4TP53
SCHEMBL29936857 0.91 PTPN1 (0.50) PTPN1MDM2MDM4TP53
SCHEMBL29937002 0.91 PTPN1 (0.50) PTPN1MDM2MDM4TP53
SCHEMBL29937039 0.91 PTPN1 (0.50) PTPN1MDM2MDM4TP53
SCHEMBL30718996 0.90 PTPN1 (0.49) PTPN1MDM2MDM4TP53
SCHEMBL30241363 0.90 PTPN1 (0.50) PTPN1MDM2MDM4TP53

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-110862458-B Combined peptide with acid activated antitumor activity and clinical application thereof 倪京满 2023-05-05 — — CN disclosed
Send feedback