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Sugi Predict / Compounds / SCHEMBL30440074

SCHEMBL30440074

SCHEMBL30440074

CC(C)C[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(=O)O)[C@@H](C)O

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 5/20 0.56
▸ CAPN1 P07384 2/20 0.54
▸ CTSB P07858 2/20 0.54
▸ CCKBR P32239 2/20 0.52
▸ GLP1R P43220 2/20 0.52
▸ C5AR1 P21730 2/20 0.51
▸ F2 P00734 4/20 0.51
▸ KISS1R Q969F8 3/20 0.50
▸ APLNR P35414 1/20 0.49

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
SCHEMBL30901434 0.91 CAPN1 (0.53) CXCR4CAPN1CTSBCCKBRGLP1R
SCHEMBL38662212 0.87 CCKBR (0.54) CXCR4CCKBRGLP1RC5AR1
SCHEMBL30997485 0.85 CTSL (0.53) CXCR4CAPN1CTSBGLP1RC5AR1
SCHEMBL29416113 0.85 CXCR4 (0.63) CXCR4CCKBRGLP1RC5AR1F2
SCHEMBL31073544 0.84 KISS1R (0.57) CCKBRGLP1RC5AR1F2KISS1R
SCHEMBL31475675 0.84 CTSL (0.60) CXCR4CCKBRC5AR1KISS1R
SCHEMBL30834802 0.84 CAPN1 (0.58) CAPN1CTSBCCKBRGLP1RC5AR1
SCHEMBL30380823 0.83 C5AR1 (0.62) CAPN1CTSBC5AR1KISS1R
SCHEMBL31182480 0.83 C5AR1 (0.64) CXCR4GLP1RC5AR1APLNR
SCHEMBL31276288 0.83 CTSL (0.51) CXCR4CAPN1CTSBC5AR1KISS1R

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-116211790-A Collagen peptide polypeptide nourishing antibacterial gel and preparation method and application thereof 陕西文锐医疗器械有限公司 2023-06-06 — — CN disclosed
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