SCHEMBL6129700

SCHEMBL6129700

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

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ECE1 P42892 2/20 0.45
▸ PTGS1 P23219 1/20 0.40
▸ GSTK1 Q9Y2Q3 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ OPRM1 P35372 2/20 0.38
▸ OPRD1 P41143 2/20 0.38
▸ OPRK1 P41145 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ PDCD1LG2 Q9BQ51 1/20 0.36
▸ CD274 Q9NZQ7 1/20 0.36
▸ ITGB2 P05107 1/20 0.36
▸ ICAM1 P05362 1/20 0.36
▸ ITGAL P20701 1/20 0.36
▸ GLO1 Q04760 1/20 0.36
▸ CA2 P00918 2/20 0.35
▸ CA1 P00915 1/20 0.35
▸ NOD1 Q9Y239 1/20 0.34

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
SCHEMBL6136428 1.00 ECE1 (0.45) ECE1PTGS1GSTK1MEN1KMT2A
SCHEMBL8500636 1.00 ECE1 (0.45) ECE1PTGS1GSTK1MEN1KMT2A
SCHEMBL8397119 1.00 ECE1 (0.45) ECE1PTGS1GSTK1MEN1KMT2A
SCHEMBL6129713 1.00 ECE1 (0.45) ECE1PTGS1GSTK1MEN1KMT2A
SCHEMBL1487366 0.99 ECE1 (0.46) ECE1PTGS1GSTK1MEN1KMT2A
SCHEMBL8717802 0.97 ECE1 (0.43) ECE1PTGS1GSTK1MEN1KMT2A
SCHEMBL9228819 0.97 ECE1 (0.43) ECE1PTGS1GSTK1MEN1KMT2A
SCHEMBL29592041 0.97 ECE1 (0.43) ECE1PTGS1GSTK1MEN1KMT2A
SCHEMBL8717771 0.97 ECE1 (0.43) ECE1PTGS1GSTK1MEN1KMT2A
SCHEMBL7464934 0.97 ECE1 (0.43) ECE1PTGS1GSTK1MEN1KMT2A

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117396217-A Catalytically inactive clostridial neurotoxins for use in the treatment of pain and inflammatory diseases 益普生生物制药有限公司 2024-01-12 — — CN disclosed
CN-117396218-A Treatment of pain and inflammatory diseases 益普生生物制药有限公司 2024-01-12 — — CN disclosed
CN-114302963-B Flowering phase gene and method of use thereof 未名生物农业集团有限公司 2023-12-22 — — CN disclosed
CN-116847873-A Brain injury treatment 益普生生物制药有限公司 2023-10-03 — — CN disclosed
CN-111701010-B Liquid neurotoxin formulations stabilized with tryptophan or tyrosine 益普生生物制药有限公司 2023-09-26 — — CN disclosed
CN-116745425-A Insecticidal gene and method of use 农业生物群落股份有限公司 2023-09-12 — — CN disclosed
CN-116438292-A Controlling operation of a bioreactor vessel 益普生生物制药有限公司 2023-07-14 — — CN disclosed
CN-116157146-A Method for treating post-surgical pain 益普生生物制药有限公司 2023-05-23 — — CN disclosed
CN-115500072-A Treatment of skin conditions 益普生生物制药有限公司 2022-12-20 — — CN disclosed
CN-109477093-B Peptide effective in controlling geminivirus disease and method of using the same 石原产业株式会社 2022-08-26 — — CN disclosed
EP-1105153-A4 MULTIVALENT VACCINE FOR (CLOSTRIDIUM BOTULINUM) NEUROTOXIN OPHIDIAN PHARM INC (US) 2005-01-19 — — EP disclosed
CN-1331753-A Essential genes from C albicans and method for screening antimycotic substances using said genes AIWENTIS PHARMACEUTIC SA (FR) 2002-01-16 — — CN disclosed
EP-1105153-A1 MULTIVALENT VACCINE FOR (CLOSTRIDIUM BOTULINUM) NEUROTOXIN OPHIDIAN PHARMACEUTICALS, INC. (US) 2001-06-13 — — EP disclosed
EP-0977036-A1 METHOD FOR ASSAYING AGALACTO-IgG AND ASSAY KITS, POLYPEPTIDES OF LECTINS, AND DNAS ENCODING THE SAME SEIKAGAKU CORPORATION (JP) 2000-02-02 — — EP disclosed
US-6013266-A Live attenuated bacteria of the species Actinobacillus pleuropneumoniae AKZO NOBEL, N.V. (NL) 2000-01-11 — — US disclosed
WO-1998008540-A1 MULTIVALENT VACCINE FOR CLOSTRIDIUM BOTULINUM NEUROTOXIN OPHIDIAN PHARMACEUTICALS, INC. (US) 1998-03-05 — — WO disclosed
WO-1997049828-A1 NOVEL TATA-BOX BINDING PROTEIN-ASSOCIATED FACTORS ESSENTIAL FOR YEAST VIABILITY UNIVERSITY OF MASSACHUSETTS (US) 1997-12-31 — — WO disclosed
EP-0804583-A2 LETTUCE INFECTIOUS YELLOWS VIRUS GENES ASGROW SEED COMPANY (US) 1997-11-05 — — EP disclosed
CN-1133065-A Lettuce infectious yellows virus genes UPJOHN CO (US) 1996-10-09 — — CN disclosed
WO-1995002056-A2 LETTUCE INFECTIOUS YELLOWS VIRUS GENES ASGROW SEED COMPANY (US) 1995-01-19 — — WO disclosed
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