SCHEMBL30233455

SCHEMBL30233455

CC(C)C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.52
▸ KDM1A O60341 3/20 0.51
▸ NMUR2 Q9GZQ4 5/20 0.50
▸ NMUR1 Q9HB89 4/20 0.49
▸ OPRM1 P35372 1/20 0.48
▸ NTSR2 O95665 1/20 0.47
▸ NTSR1 P30989 1/20 0.47
▸ MAOB P27338 1/20 0.47
▸ KDM5A P29375 1/20 0.47
▸ KDM1B Q8NB78 1/20 0.47
▸ REN P00797 1/20 0.47

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
SCHEMBL13599743 0.92 KDM1A (0.55) STAT3KDM1ANMUR2NMUR1NTSR2
SCHEMBL6519003 0.89 KDM1A (0.50) KDM1ANMUR2NMUR1MAOBKDM5A
SCHEMBL30234090 0.87 NMUR2 (0.55) STAT3NMUR2NMUR1OPRM1NTSR2
SCHEMBL30468116 0.86 REN (0.58) NMUR2NMUR1REN
SCHEMBL31208560 0.85 NTSR2 (0.55) NMUR2NMUR1NTSR2NTSR1REN
SCHEMBL30005892 0.84 REN (0.57) KDM1ANMUR2NMUR1REN
SCHEMBL30005549 0.84 NMUR2 (0.50) NMUR2NMUR1OPRM1REN
SCHEMBL29713443 0.83 REN (0.50) OPRM1REN
SCHEMBL31241525 0.83 NMUR2 (0.55) NMUR2NMUR1OPRM1NTSR2NTSR1
SCHEMBL29777346 0.83 OPRM1 (0.55) OPRM1REN

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
US-20240343763-A1 DETOXIFIED GLUTEN PROTEIN FOR THE FORMULATION OF FOODS FOR SPECIAL MEDICAL PURPOSES ENEA - Agenzia nazionale per le nuove tecnologie, l'energia e lo sviluppo economico sostenibile (IT) 2024-10-17 — — US disclosed
EP-4380956-A1 DETOXIFIED GLUTEN PROTEIN FOR THE FORMULATION OF FOODS FOR SPECIAL MEDICAL PURPOSES ENEA - Agenzia Nazionale per le Nuove Tecnologie, l'Energia e lo Sviluppo Economico Sostenibile (IT) 2024-06-12 — — EP disclosed
WO-2023012561-A1 DETOXIFIED GLUTEN PROTEIN FOR THE FORMULATION OF FOODS FOR SPECIAL MEDICAL PURPOSES ENEA - Agenzia nazionale per le nuove tecnologie, l'energia e lo sviluppo economico sostenibile (IT) 2023-02-09 — — WO disclosed
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