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SCHEMBL30781629

SCHEMBL30781629

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](N)CO)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 9)

geneUniProtsupporting neighboursconfidence
▸ EPHA2 P29317 2/20 0.49
▸ APLNR P35414 1/20 0.48
▸ RAMP3 O60896 13/20 0.48
▸ CALCR P30988 13/20 0.48
▸ CXCR4 P61073 1/20 0.47
▸ CTSL P07711 2/20 0.45
▸ CTSS P25774 2/20 0.45
▸ CTSK P43235 2/20 0.45
▸ CTSH P09668 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
SCHEMBL30781627 0.93 RAMP3 (0.50) EPHA2APLNRRAMP3CALCRCXCR4
SCHEMBL30781628 0.88 MAPK8 (0.49) EPHA2APLNRRAMP3CALCR
SCHEMBL29699848 0.86 RAMP3 (0.46) EPHA2APLNRRAMP3CALCR
SCHEMBL29407943 0.85 APLNR (0.54) APLNRRAMP3CALCRCXCR4
SCHEMBL31511301 0.84 RAMP3 (0.51) EPHA2RAMP3CALCR
SCHEMBL30493544 0.83 APLNR (0.48) APLNRRAMP3CALCR
SCHEMBL29636368 0.83 EPHA2 (0.53) EPHA2APLNRRAMP3CALCRCXCR4
SCHEMBL31265322 0.83 EPHA2 (0.50) EPHA2RAMP3CALCRCXCR4
SCHEMBL29712696 0.83 EPHA2 (0.47) EPHA2RAMP3CALCRCXCR4
SCHEMBL9056898 0.82 OPRM1 (0.50) EPHA2RAMP3CALCRCXCR4

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-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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