Sugi Predict

Sugi Predict / Compounds / SCHEMBL29974215

SCHEMBL29974215

SCHEMBL29974215

CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)O

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 1/20 0.68
▸ IL23R Q5VWK5 11/20 0.57
▸ KEAP1 Q14145 1/20 0.57

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
SCHEMBL30434320 0.93 TFPI (0.66) TFPIIL23RKEAP1
SCHEMBL29826865 0.93 TFPI (0.66) TFPIIL23RKEAP1
SCHEMBL31232421 0.91 TFPI (0.56) TFPIIL23RKEAP1
SCHEMBL10535233 0.90 TFPI (0.62) TFPIIL23RKEAP1
SCHEMBL10535214 0.90 TFPI (0.62) TFPIIL23RKEAP1
SCHEMBL30567797 0.90 TFPI (0.62) TFPIIL23RKEAP1
SCHEMBL30437374 0.90 TFPI (0.63) TFPI
SCHEMBL30538334 0.89 TFPI (0.67) TFPIKEAP1
SCHEMBL31078236 0.89 TFPI (0.53) TFPIIL23RKEAP1
SCHEMBL30342387 0.88 TFPI (0.57) TFPIIL23R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120058858-A GluA2 AMPAR endocytic blocking membrane-penetrating cyclic peptide and application thereof 青岛大学 2025-05-30 — — CN disclosed
CN-115925813-A Transmembrane cyclopeptide and preparation method and application thereof 青岛大学 2023-04-07 — — CN disclosed
US-20220347266-A1 METHOD AND MEDICINE FOR TREATING DEPRESSIVE DISORDERS QINGDAO PRIMEDICINE PHARMACEUTICAL CO., LTD. (CN) 2022-11-03 — — US disclosed
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