SCHEMBL21623927

SCHEMBL21623927

COc1cc(CN(O)C(=O)c2ccccc2)ccc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.55
TSHR P16473 2/20 0.55
ALDH1A1 P00352 1/20 0.55
NFKB1 P19838 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
ALOX5 P09917 2/20 0.49
LMNA P02545 3/20 0.48
MAPK1 P28482 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CYP1A2 P05177 1/20 0.48
HSP90AA1 P07900 1/20 0.48
HSP90AB1 P08238 1/20 0.48
BLM P54132 1/20 0.48
OR51E2 Q9H255 1/20 0.48
HTT P42858 1/20 0.48
TRPV1 Q8NER1 2/20 0.47
TAAR1 Q96RJ0 2/20 0.47
KDM4E B2RXH2 1/20 0.46
CYP3A4 P08684 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
SCHEMBL11098754 0.82 GAA (0.59) GAATSHRALDH1A1NFKB1TDP1
SCHEMBL12803184 0.82 GAA (0.52) GAATSHRALDH1A1NFKB1TDP1
SCHEMBL29085512 0.77 L3MBTL1 (0.57) GAATSHRALDH1A1NFKB1TDP1
SCHEMBL20017691 0.75 ALOX5 (0.65) GAATSHRALDH1A1NFKB1TDP1
SCHEMBL22283475 0.75 TDP1 (0.57) GAATSHRALDH1A1NFKB1TDP1
SCHEMBL31438953 0.75 TDP1 (0.57) GAATSHRALDH1A1NFKB1TDP1
Benzoic Acid SCHEMBL29176770 0.75 HTT (0.58) GAATSHRALDH1A1NFKB1TDP1
SCHEMBL12803185 0.75 GAA (0.54) GAATSHRALDH1A1NFKB1TDP1
SCHEMBL12803007 0.75 TSHR (0.50) GAATSHRALDH1A1NFKB1TDP1
SCHEMBL5681720 0.74 ERCC1 (0.69) SMN1; SMN2TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4103575-A1 ALLULOSE IN CRYSTALLINE FORM Savanna Ingredients GmbH (DE) 2022-12-21 EP disclosed
EP-3911172-A1 COMBINATION REMEDY Symrise AG (DE) 2021-11-24 EP disclosed
WO-2021160701-A1 ALLULOSE IN CRYSTALLINE FORM SAVANNA INGREDIENTS GMBH (DE) 2021-08-19 WO disclosed
EP-3823455-A1 COMPOSITION FOR SUBSTITUTING SUGAR IN BAKED GOODS Symrise AG (DE) 2021-05-26 EP disclosed
WO-2020147977-A1 COMBINATION REMEDY SYMRISE AG (DE) 2020-07-23 WO disclosed
WO-2020015816-A1 COMPOSITION FOR SUBSTITUTING SUGAR IN BAKED GOODS SYMRISE AG (DE) 2020-01-23 WO disclosed
CN-101616606-B Use of water-dispersible carotenoid nanoparticles as flavoring agent, flavoring agent containing water-dispersible carotenoid nanoparticles and flavoring method BASF SE DE 2014-01-08 CN disclosed
CN-101616606-A Use of water-dispersible carotenoid nanoparticles as flavoring agent, flavoring agent containing water-dispersible carotenoid nanoparticles and flavoring method BASF SE 2009-12-30 CN disclosed