SCHEMBL20815907

SCHEMBL20815907

CC(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)C(O)C(=O)NCCC(=O)NCCSCC(=O)O

nearest known ligand 0.86

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHAT P28329 2/20 0.85
NAA50 Q9GZZ1 2/20 0.85
EP300 Q09472 4/20 0.84
KAT5 Q92993 2/20 0.84
AURKA O14965 2/20 0.84
KAT2B Q92831 1/20 0.84
CREBBP Q92793 1/20 0.79
NAA40 Q86UY6 1/20 0.78

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
SCHEMBL30991360 1.00 CHAT (0.85) CHATNAA50EP300KAT5AURKA
SCHEMBL30361785 1.00 CHAT (0.85) CHATNAA50EP300KAT5AURKA
SCHEMBL1370748 1.00 CHAT (0.85) CHATNAA50EP300KAT5AURKA
SCHEMBL26700227 0.96 EP300 (0.83) CHATNAA50EP300KAT5AURKA
SCHEMBL28803301 0.96 EP300 (0.83) CHATNAA50EP300KAT5AURKA
SCHEMBL28670397 0.95 CHAT (0.83) CHATNAA50EP300KAT5AURKA
SCHEMBL29366032 0.95 NAA50 (0.84) CHATNAA50EP300KAT5AURKA
SCHEMBL28017929 0.94 EP300 (0.84) CHATNAA50EP300KAT5AURKA
SCHEMBL2112268 0.94 CHAT (0.83) CHATNAA50EP300KAT5AURKA
SCHEMBL18608119 0.94 CHAT (0.87) CHATNAA50EP300KAT5AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250163478-A1 BIOCONVERSION OF LEVULINIC ACID IN GENETICALLY ENGINEERED HOSTS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2025-05-22 US disclosed
US-12116609-B2 Bioconversion of levulinic acid in genetically engineered hosts WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2024-10-15 US disclosed
US-20210155961-A1 BIOCONVERSION OF LEVULINIC ACID IN GENETICALLY ENGINEERED HOSTS NATIONAL SCIENCE FOUNDATION 2021-05-27 US disclosed
US-10934563-B2 Bioconversion of levulinic acid in genetically engineered hosts WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2021-03-02 US disclosed
US-20190085362-A1 BIOCONVERSION OF LEVULINIC ACID IN GENETICALLY ENGINEERED HOSTS NATIONAL SCIENCE FOUNDATION 2019-03-21 US disclosed