SCHEMBL1404073

SCHEMBL1404073

C[C@@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O

nearest known ligand 0.88

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NAA50 Q9GZZ1 2/20 0.87
CHAT P28329 2/20 0.83
EP300 Q09472 3/20 0.82
KAT5 Q92993 2/20 0.82
AURKA O14965 2/20 0.82
KAT2B Q92831 1/20 0.82
CREBBP Q92793 1/20 0.73

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
SCHEMBL147645 1.00 NAA50 (0.87) NAA50CHATEP300KAT5AURKA
SCHEMBL4360785 1.00 NAA50 (0.87) NAA50CHATEP300KAT5AURKA
SCHEMBL11940284 1.00 NAA50 (0.87) NAA50CHATEP300KAT5AURKA
SCHEMBL60564 1.00 NAA50 (0.87) NAA50CHATEP300KAT5AURKA
SCHEMBL4360773 1.00 NAA50 (0.87) NAA50CHATEP300KAT5AURKA
SCHEMBL17276002 1.00 NAA50 (0.87) NAA50CHATEP300KAT5AURKA
SCHEMBL22411229 1.00 NAA50 (0.87) NAA50CHATEP300KAT5AURKA
SCHEMBL20524261 1.00 NAA50 (0.87) NAA50CHATEP300KAT5AURKA
SCHEMBL20524193 1.00 NAA50 (0.87) NAA50CHATEP300KAT5AURKA
SCHEMBL19553819 1.00 NAA50 (0.87) NAA50CHATEP300KAT5AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230200412-A1 METHODS OF MODULATING GASTROINTESTINAL MICROBIAL METABOLIC PATHWAYS AND METABOLITES DSM IP ASSETS B.V. (NL) 2023-06-29 US claimed
EP-4118090-A1 METHODS OF MODULATING GASTROINTESTINAL MICROBIAL METABOLIC PATHWAYS AND METABOLITES DSM IP Assets B.V. (NL) 2023-01-18 EP claimed
WO-2021183896-A1 METHODS OF MODULATING GASTROINTESTINAL MICROBIAL METABOLIC PATHWAYS AND METABOLITES DSM IP ASSETS, B.V. (NL) 2021-09-16 WO claimed
EP-2924122-B1 1,4-BUTANEDIOL MANUFACTURING METHOD AND MICROORGANISM SHOWA DENKO KK (JP) 2017-08-23 EP claimed
WO-2025051835-A1 BIOLOGICAL PRODUCTION OF POLYHYDROXYALKANOATES AND MONOMERS THEREFOR USING ENGINEERED PSEUDOMONAS CELLS DANMARKS TEKNISKE UNIVERSITET (DK) 2025-03-13 WO disclosed
US-20240075059-A1 METHODS OF SELECTIVELY PROMOTING GASTROINTESTINAL MICROBIAL GROWTH DSM IP ASSETS B.V. (NL) 2024-03-07 US disclosed
US-20230405091-A1 METHODS OF MODULATING GASTROINTESTINAL METABOLITES DSM IP ASSETS B.V. (NL) 2023-12-21 US disclosed
EP-4280891-A1 METHODS OF SELECTIVELY PROMOTING GASTROINTESTINAL MICROBIAL GROWTH DSM IP Assets B.V. (NL) 2023-11-29 EP disclosed
EP-4228424-A1 METHODS OF MODULATING GASTROINTESTINAL METABOLITES DSM IP Assets B.V. (NL) 2023-08-23 EP disclosed
US-20230200412-A1 METHODS OF MODULATING GASTROINTESTINAL MICROBIAL METABOLIC PATHWAYS AND METABOLITES DSM IP ASSETS B.V. (NL) 2023-06-29 US disclosed
US-11661613-B2 Methods and materials for the biosynthesis of hydroxy fatty acid anions and/or derivatives thereof and/or compounds related thereto INV NYLON CHEMICALS AMERICAS, LLC (US) 2023-05-30 US disclosed
EP-4118090-A1 METHODS OF MODULATING GASTROINTESTINAL MICROBIAL METABOLIC PATHWAYS AND METABOLITES DSM IP Assets B.V. (NL) 2023-01-18 EP disclosed
WO-2015028423-A1 A METHOD FOR PRODUCING ACYL AMINO ACIDS EVONIK INDUSTRIES AG (DE) 2015-03-05 WO disclosed
EP-2842542-A1 A method for producing acyl amino acids Evonik Industries AG (DE) 2015-03-04 EP disclosed
WO-2015000981-A2 METHOD FOR THE ENZYMATIC PRODUCTION OF 3-BUTEN-2-ONE SCIENTIST OF FORTUNE S.A. (LU) 2015-01-08 WO disclosed
US-20110097775-A1 PRODUCTION OF BUTANOL GREEN BIOLOGICS LIMITED (GB) 2011-04-28 US disclosed
EP-2291530-A1 RECOMBINANT CELL PRODUCING 2-HYDROXYISOBUTYRIC ACID Evonik Röhm GmbH (DE) 2011-03-09 EP disclosed
EP-2230312-A1 Probe compound for detecting and isolating enzymes and means and methods using the same Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2010-09-22 EP disclosed
WO-2009156214-A1 RECOMBINANT CELL PRODUCING 2-HYDROXYISOBUTYRIC ACID EVONIK RÖHM GMBH (DE) 2009-12-30 WO disclosed
US-20090186358-A1 Pathway Analysis of Cell Culture Phenotypes and Uses Thereof WYETH (US) 2009-07-23 US disclosed