SCHEMBL30781628

SCHEMBL30781628

CSCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1)C(C)C)C(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 1/20 0.49
▸ MAPK9 P45984 1/20 0.49
▸ MAPK10 P53779 1/20 0.49
▸ EPHA2 P29317 2/20 0.48
▸ RAMP3 O60896 14/20 0.48
▸ CALCR P30988 14/20 0.48
▸ APLNR P35414 1/20 0.48
▸ KDM1A O60341 1/20 0.46

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
SCHEMBL30781627 0.90 RAMP3 (0.50) EPHA2RAMP3CALCRAPLNR
SCHEMBL30781629 0.88 EPHA2 (0.49) EPHA2RAMP3CALCRAPLNR
SCHEMBL30844397 0.86 MAPK8 (0.54) MAPK8MAPK9MAPK10RAMP3CALCR
SCHEMBL30883249 0.86 EPHA2 (0.62) MAPK8MAPK9MAPK10EPHA2RAMP3
SCHEMBL29407945 0.86 MAPK8 (0.56) MAPK8MAPK9MAPK10RAMP3CALCR
SCHEMBL30666383 0.85 KDM1A (0.55) MAPK8MAPK9MAPK10RAMP3CALCR
SCHEMBL30844398 0.84 MAPK8 (0.54) MAPK8MAPK9MAPK10EPHA2RAMP3
SCHEMBL31031616 0.83 MAPK8 (0.45) MAPK8MAPK9MAPK10EPHA2RAMP3
SCHEMBL30844380 0.83 MAPK8 (0.55) MAPK8MAPK9MAPK10RAMP3CALCR
SCHEMBL30844381 0.83 KDM1A (0.55) MAPK8MAPK9MAPK10EPHA2KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117486973-B Hypsizygus marmoreus bitter peptide and extraction method and application thereof 陕西科技大学 2024-11-15 — — CN disclosed
CN-117486973-B Hypsizygus marmoreus bitter peptide and extraction method and application thereof 陕西科技大学 2024-11-15 — — CN disclosed
CN-117486973-A Hypsizygus marmoreus bitter peptide and extraction method and application thereof 陕西科技大学 2024-02-02 — — CN disclosed
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