SCHEMBL20211428

SCHEMBL20211428

O=C1CCC(=O)N1[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CDA P32320 8/20 0.52
▸ PYGM P11217 3/20 0.49
▸ MAPT P10636 1/20 0.47
▸ SLC28A1 O00337 1/20 0.46
▸ SLC28A2 O43868 1/20 0.46
▸ SLC29A1 Q99808 1/20 0.46
▸ SLC28A3 Q9HAS3 1/20 0.46

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
SCHEMBL28612080 1.00 CDA (0.52) CDAPYGMMAPTSLC28A1SLC28A2
SCHEMBL27652046 0.83 CDA (0.41) CDAMAPTSLC28A1SLC28A2SLC29A1
SCHEMBL18343088 0.79 PYGM (0.52) CDAPYGMMAPTSLC28A1SLC28A2
SCHEMBL26099251 0.74 CDA (0.49) CDAPYGMMAPTSLC28A1SLC28A2
SCHEMBL11707269 0.72 CDA (0.55) CDAMAPT
SCHEMBL24256353 0.71 LMNA (0.37) CDA
SCHEMBL23705299 0.71 LMNA (0.37) CDA
SCHEMBL29359502 0.71 CDA (0.46) CDAPYGMMAPTSLC28A1SLC28A2
SCHEMBL11757296 0.71 CDA (0.66) CDAPYGMMAPTSLC28A1SLC28A2
SCHEMBL18512842 0.71 CDA (0.66) CDAPYGMMAPTSLC28A1SLC28A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3313200-B1 (5R)-(SS-D-GLUCOPYRANOSYLOXY)-1,5-DIHYDRO-2H-PYRROL-2-ONE AS UMAMI MOLECULE NESTEC SA (CH) 2019-04-03 — — EP disclosed
US-20180153203-A1 (5R)-(ß-D-GLUCOPYRANOSYLOXY)-1,5-DIHYDRO-2H-PYRROL-2-ONE AS UMAMI MOLECULE Société des Produits Nestlé S.A. (CH) 2018-06-07 — — US disclosed
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