SCHEMBL30420364

SCHEMBL30420364

CSCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C(C)C)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NAA50 Q9GZZ1 1/20 0.49
▸ APLNR P35414 1/20 0.44
▸ GRB2 P62993 1/20 0.44
▸ KEAP1 Q14145 1/20 0.44
▸ NMUR2 Q9GZQ4 1/20 0.43
▸ NMUR1 Q9HB89 1/20 0.43
▸ CALCR P30988 12/20 0.43
▸ RAMP3 O60896 9/20 0.43
▸ FNTA P49354 2/20 0.41
▸ FNTB P49356 2/20 0.41
▸ OPRM1 P35372 1/20 0.41
▸ OPRD1 P41143 1/20 0.41

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
SCHEMBL30420836 0.94 NAA50 (0.50) NAA50GRB2KEAP1CALCRRAMP3
SCHEMBL30419465 0.93 NAA50 (0.53) NAA50GRB2NMUR2NMUR1CALCR
SCHEMBL30419987 0.92 GRB2 (0.47) NAA50APLNRGRB2KEAP1NMUR2
SCHEMBL30420523 0.88 OPRM1 (0.55) NMUR2NMUR1CALCRRAMP3OPRM1
SCHEMBL30420502 0.86 GRB2 (0.49) NAA50GRB2NMUR2NMUR1
SCHEMBL30420753 0.86 GRB2 (0.47) NAA50APLNRGRB2KEAP1CALCR
SCHEMBL31232442 0.86 GRB2 (0.51) NAA50APLNRGRB2
SCHEMBL30581569 0.85 NMUR2 (0.52) NAA50APLNRNMUR2NMUR1CALCR
SCHEMBL30102065 0.85 NAA50 (0.45) NAA50KEAP1NMUR2NMUR1CALCR
SCHEMBL31433327 0.82 CALCR (0.47) NAA50APLNRKEAP1CALCRRAMP3

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-116350760-A Application of CTL epitope peptide derived from new antigen ESR1 or encoding nucleic acid thereof in preparation of medicines 郑州大学 2023-06-30 — — CN disclosed
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