SCHEMBL5567289

SCHEMBL5567289

CNC(=O)Oc1c(C)cccc1C(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.47
GABRA1 P14867 1/20 0.44
GABRB2 P47870 1/20 0.44
ALDH1A1 P00352 3/20 0.42
GAA P10253 2/20 0.42
PGR P06401 1/20 0.41
PTGS1 P23219 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL5566828 0.90 ALDH1A1 (0.45) NLRP3ALDH1A1GAAPGRPTGS1
SCHEMBL6022886 0.89 NLRP3 (0.42) NLRP3ALDH1A1GAAPGRPTGS1
SCHEMBL27489719 0.84 ALDH1A1 (0.49) ALDH1A1GAAPGRPTGS1MAPK1
SCHEMBL4801387 0.77 NLRP3 (0.50) NLRP3GABRA1GABRB2ALDH1A1GAA
SCHEMBL2397978 0.77 ALDH1A1 (0.45) NLRP3GABRA1GABRB2ALDH1A1GAA
SCHEMBL13893720 0.76 GABRA1 (0.43) NLRP3GABRA1GABRB2ALDH1A1GAA
SCHEMBL77829 0.75 ALDH1A1 (0.56) ALDH1A1GAAPGRPTGS1MAPK1
SCHEMBL132875 0.75 ALDH1A1 (0.44) ALDH1A1
SCHEMBL8536538 0.75 ALDH1A1 (0.44) ALDH1A1
Bromide SCHEMBL6851419 0.73 ALDH1A1 (0.54) ALDH1A1GAAPGRPTGS1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1651034-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2006-05-03 EP claimed
WO-2005013687-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2005-02-17 WO claimed
EP-1504664-A1 Organic compounds Novartis AG (CH) 2005-02-09 EP claimed
US-8834909-B2 Granule baits NOVARTIS AG (CH) 2014-09-16 US disclosed
US-20070071784-A1 Organic compounds ELANCO TIERGESUNDHEIT AG (CH) 2007-03-29 US disclosed
EP-1651034-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2006-05-03 EP disclosed
WO-2005013687-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2005-02-17 WO disclosed
EP-1504664-A1 Organic compounds Novartis AG (CH) 2005-02-09 EP disclosed
US-4205066-A Bait compositions for anthropophilic flies AIRWICK INDUSTRIES, INC. (US) 1980-05-27 US disclosed