SCHEMBL30100564

SCHEMBL30100564

CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)NCC(=O)OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 11/20 0.61
CTSK P43235 10/20 0.61
CTSB P07858 5/20 0.58
CTSL P07711 3/20 0.58
PSMB1 P20618 1/20 0.54
PSMB8 P28062 1/20 0.54
PSMB9 P28065 1/20 0.54
PSMB5 P28074 1/20 0.54
PSMB10 P40306 1/20 0.54
PSMB2 P49721 1/20 0.54
OPRD1 P41143 5/20 0.52
OPRM1 P35372 4/20 0.52
AKT1 P31749 1/20 0.52
OPRK1 P41145 1/20 0.52
ACE P12821 1/20 0.51

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
SCHEMBL30865868 1.00 CTSS (0.61) CTSSCTSKCTSBCTSLPSMB1
SCHEMBL30100566 0.98 CTSS (0.63) CTSSCTSKCTSBCTSLPSMB1
SCHEMBL11607639 0.98 CTSS (0.63) CTSSCTSKCTSBCTSLPSMB1
SCHEMBL11528388 0.94 CTSS (0.61) CTSSCTSKCTSBCTSLPSMB1
SCHEMBL30100570 0.92 CTSS (0.56) CTSSCTSKCTSBCTSLPSMB1
SCHEMBL11120671 0.92 CTSS (0.66) CTSSCTSKCTSBCTSLAKT1
SCHEMBL11525136 0.91 CTSS (0.64) CTSSCTSKCTSBCTSLPSMB1
SCHEMBL11523721 0.91 CTSS (0.64) CTSSCTSKCTSBCTSLPSMB1
SCHEMBL11525133 0.91 CTSS (0.64) CTSSCTSKCTSBCTSLPSMB1
SCHEMBL11604023 0.90 CTSS (0.56) CTSSCTSKCTSBCTSLPSMB1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118791564-A Dimer of ursolic acid-Tyr-Gly-Phe-Gly-Gly and synthesis and application thereof 首都医科大学 2024-10-18 CN claimed
CN-115403658-B Ursolic acid-Tyr-Gly-Phe-Gly-Gly, synthesis, activity and application thereof 首都医科大学 2024-04-23 CN claimed
CN-115403658-A Arbuterol-Tyr-Gly-Phe-Gly-Gly, synthesis, activity and application thereof 首都医科大学 2022-11-29 CN claimed
CN-118791564-A Dimer of ursolic acid-Tyr-Gly-Phe-Gly-Gly and synthesis and application thereof 首都医科大学 2024-10-18 CN disclosed
CN-115403658-B Ursolic acid-Tyr-Gly-Phe-Gly-Gly, synthesis, activity and application thereof 首都医科大学 2024-04-23 CN disclosed
CN-115403658-A Arbuterol-Tyr-Gly-Phe-Gly-Gly, synthesis, activity and application thereof 首都医科大学 2022-11-29 CN disclosed