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SCHEMBL30596173

SCHEMBL30596173

CC(C)C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ IL23R Q5VWK5 5/20 0.65
▸ KISS1R Q969F8 15/20 0.65

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
SCHEMBL30596084 0.99 IL23R (0.64) IL23RKISS1R
SCHEMBL30471720 0.93 OPRM1 (0.65) IL23RKISS1R
SCHEMBL30596141 0.92 IL23R (0.69) IL23RKISS1R
SCHEMBL31688309 0.90 IL23R (0.64) IL23RKISS1R
SCHEMBL29610039 0.89 GLP1R (0.66) IL23RKISS1R
SCHEMBL30578727 0.89 IL23R (0.62) IL23RKISS1R
SCHEMBL38650746 0.88 GLP1R (0.65) IL23RKISS1R
SCHEMBL31462103 0.88 GLP1R (0.58) IL23RKISS1R
SCHEMBL31532229 0.87 KISS1R (0.64) IL23RKISS1R
SCHEMBL30382016 0.87 PRMT1 (0.57) IL23RKISS1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116804045-A Polypeptide targeting HPV16E6 protein and preparation method and application thereof 东南大学 2023-09-26 — — CN claimed
CN-116804045-A Polypeptide targeting HPV16E6 protein and preparation method and application thereof 东南大学 2023-09-26 — — CN disclosed
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