SCHEMBL18343088

SCHEMBL18343088

O=C1C=CC(=O)N1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PYGM P11217 3/20 0.52
▸ CDA P32320 4/20 0.50
▸ MAPT P10636 1/20 0.50
▸ SLC28A1 O00337 1/20 0.49
▸ SLC28A2 O43868 1/20 0.49
▸ SLC29A1 Q99808 1/20 0.49
▸ SLC28A3 Q9HAS3 1/20 0.49
▸ LMNA P02545 3/20 0.47
▸ MTOR P42345 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ THRB P10828 1/20 0.47
▸ MDM2 Q00987 1/20 0.47
▸ NCOA1 Q15788 1/20 0.47
▸ NCOA3 Q9Y6Q9 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ GMNN O75496 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ DNMT1 P26358 1/20 0.47

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
SCHEMBL27652070 0.83 CDA (0.38) PYGMCDAMAPTSLC28A1SLC28A2
SCHEMBL28612080 0.79 CDA (0.52) PYGMCDAMAPTSLC28A1SLC28A2
SCHEMBL20211428 0.79 CDA (0.52) PYGMCDAMAPTSLC28A1SLC28A2
SCHEMBL26099251 0.78 CDA (0.49) PYGMCDAMAPTSLC28A1SLC28A2
SCHEMBL25866953 0.72 OGA (0.46) SLC28A3ALDH1A1
SCHEMBL7023712 0.71 SLC28A1 (0.55) PYGMCDAMAPTSLC28A1SLC28A2
SCHEMBL7023707 0.71 SLC28A1 (0.55) PYGMCDAMAPTSLC28A1SLC28A2
SCHEMBL29359502 0.71 CDA (0.46) PYGMCDAMAPTSLC28A1SLC28A2
SCHEMBL31509115 0.71 SLC28A1 (0.51) PYGMCDAMAPTSLC28A1SLC28A2
SCHEMBL31685710 0.70 LMNA (0.42) CDAMAPTSLC28A1SLC28A2SLC29A1

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 4 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
EP-3313200-A1 (5R)-(ß-D-GLUCOPYRANOSYLOXY)-1,5-DIHYDRO-2H Nestec S.A. (CH) 2018-05-02 — — EP disclosed
WO-2016207174-A1 (5R)-(ß-D-GLUCOPYRANOSYLOXY)-1,5-DIHYDRO-2H-PYRROL-2- ONE AS UMAMI MOLECULE NESTEC S.A. (CH) 2016-12-29 — — WO disclosed
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