SCHEMBL31696777

SCHEMBL31696777

CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CS)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ IL23R Q5VWK5 11/20 0.66
▸ NPBWR1 P48145 9/20 0.66

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
SCHEMBL30512524 0.91 IL23R (0.67) IL23RNPBWR1
SCHEMBL29641064 0.91 NPBWR1 (0.66) IL23RNPBWR1
SCHEMBL29461984 0.91 NPBWR1 (0.62) IL23RNPBWR1
SCHEMBL29883780 0.91 NPBWR1 (0.62) IL23RNPBWR1
SCHEMBL31433306 0.90 NPBWR1 (0.69) IL23RNPBWR1
SCHEMBL31433230 0.90 NPBWR1 (0.69) IL23RNPBWR1
SCHEMBL11331799 0.90 IL23R (0.67) IL23R
SCHEMBL11331814 0.90 IL23R (0.67) IL23R
SCHEMBL31433363 0.88 NPBWR1 (0.64) IL23RNPBWR1
SCHEMBL31141446 0.88 KISS1R (0.69) IL23RNPBWR1

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-120754268-A Application of polypeptide-nano selenium compound and composition thereof in resisting tumor 中慈保健品科技开发有限公司 2025-10-10 — — CN disclosed
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