SCHEMBL30382008

SCHEMBL30382008

NC(CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.70
▸ GSTK1 Q9Y2Q3 1/20 0.70
▸ GLO1 Q04760 4/20 0.61
▸ NOD1 Q9Y239 5/20 0.43
▸ FOLH1 Q04609 2/20 0.41
▸ GRM8 O00222 1/20 0.40
▸ GRM6 O15303 1/20 0.40
▸ GRIN2D O15399 1/20 0.40
▸ GRIN3B O60391 1/20 0.40
▸ GSR P00390 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ GRIK1 P39086 1/20 0.40
▸ GRM5 P41594 1/20 0.40
▸ GRIA1 P42261 1/20 0.40
▸ GRIA2 P42262 1/20 0.40
▸ GRIA3 P42263 1/20 0.40
▸ SLC1A3 P43003 1/20 0.40
▸ SLC1A2 P43004 1/20 0.40
▸ SLC1A1 P43005 1/20 0.40
▸ GRIA4 P48058 1/20 0.40

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
SCHEMBL30443198 1.00 PTGS1 (0.70) PTGS1GSTK1GLO1NOD1FOLH1
SCHEMBL13930989 1.00 PTGS1 (0.70) PTGS1GSTK1GLO1NOD1FOLH1
SCHEMBL19293447 1.00 PTGS1 (0.70) PTGS1GSTK1GLO1NOD1FOLH1
SCHEMBL25770244 0.97 PTGS1 (0.70) PTGS1GSTK1GLO1NOD1FOLH1
Oxiglutatione SCHEMBL138746 0.97 PTGS1 (0.73) PTGS1GSTK1GLO1NOD1FOLH1
Oxiglutatione SCHEMBL16377441 0.97 PTGS1 (0.73) PTGS1GSTK1GLO1NOD1FOLH1
Oxiglutatione SCHEMBL19579378 0.97 PTGS1 (0.73) PTGS1GSTK1GLO1NOD1FOLH1
Oxiglutatione SCHEMBL13561367 0.97 PTGS1 (0.73) PTGS1GSTK1GLO1NOD1FOLH1
Oxiglutatione SCHEMBL18744121 0.97 PTGS1 (0.73) PTGS1GSTK1GLO1NOD1FOLH1
Oxiglutatione SCHEMBL4362052 0.97 PTGS1 (0.73) PTGS1GSTK1GLO1NOD1FOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119936394-B Diagnostic system for abdominal aortic aneurysm and application thereof BEIJING FRIENDSHIP HOSPITAL, CAPITAL MEDICAL UNIVERSITY (CN) 2026-05-26 — — CN disclosed
US-12329726-B2 Biomarkers for efficacy of prophylactic treatments against stress-induced affective disorders THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2025-06-17 — — US disclosed
CN-119936394-A Application of metabolic marker in preparation of product for diagnosing abdominal aortic aneurysm 首都医科大学附属北京友谊医院 2025-05-06 — — CN disclosed
CN-119023965-B Application of metabolic marker in preparation of product for diagnosing abdominal aortic aneurysm 首都医科大学附属北京友谊医院 2025-02-07 — — CN disclosed
CN-119023965-A Application of metabolic marker in preparation of product for diagnosing abdominal aortic aneurysm 首都医科大学附属北京友谊医院 2024-11-26 — — CN disclosed
US-11929171-B2 Methods for evaluation and treatment of glycemic dysregulation and atherosclerotic cardiovascular disease and applications thereof THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2024-03-12 — — US disclosed
US-20230285322-A1 Biomarkers for Efficacy of Prophylactic Treatments Against Stress-Induced Affective Disorders THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-09-14 — — US disclosed
US-11622948-B2 Biomarkers for efficacy of prophylactic treatments against stress-induced affective disorders THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-04-11 — — US disclosed
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