SCHEMBL29147309

SCHEMBL29147309

CCCC(=O)OC1OCC(=O)O1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 2/20 0.41
PRKCA P17252 6/20 0.40
ALDH1A1 P00352 1/20 0.36
SLC18A3 Q16572 1/20 0.33

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
SCHEMBL29147307 1.00 NLRP3 (0.41) NLRP3PRKCAALDH1A1SLC18A3
SCHEMBL27701465 0.74 ALDH1A1 (0.44) NLRP3PRKCAALDH1A1SLC18A3
SCHEMBL12535608 0.74 NLRP3 (0.52) NLRP3PRKCAALDH1A1
SCHEMBL12535648 0.74 NLRP3 (0.52) NLRP3PRKCAALDH1A1
SCHEMBL12553028 0.72
SCHEMBL12553218 0.72 NLRP3 (0.44) NLRP3PRKCAALDH1A1
SCHEMBL5409097 0.72
SCHEMBL25395080 0.69
SCHEMBL26754273 0.68 NLRP3 (0.49) NLRP3PRKCA
SCHEMBL5483412 0.67 PRKCA (0.38) PRKCAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112584839-B Base modified cytidine nucleotides for leukemia treatment 美迪维尔公司 2024-02-02 CN disclosed