SCHEMBL5566828

SCHEMBL5566828

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

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
PGR P06401 1/20 0.45
GAA P10253 1/20 0.45
PTGS1 P23219 1/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CA2 P00918 1/20 0.42
NLRP3 Q96P20 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
SCHEMBL6022886 0.95 NLRP3 (0.42) ALDH1A1PGRGAAPTGS1MAPK1
SCHEMBL5567289 0.90 NLRP3 (0.47) ALDH1A1PGRGAAPTGS1MAPK1
SCHEMBL2977526 0.80 CA2 (0.48) ALDH1A1GAACA2NLRP3
SCHEMBL132875 0.80 ALDH1A1 (0.44) ALDH1A1CA2
SCHEMBL77829 0.80 ALDH1A1 (0.56) ALDH1A1PGRGAAPTGS1MAPK1
SCHEMBL8536538 0.80 ALDH1A1 (0.44) ALDH1A1CA2
Bromide SCHEMBL6851419 0.79 ALDH1A1 (0.54) ALDH1A1PGRGAAPTGS1MAPK1
SCHEMBL2977527 0.79 CA2 (0.46) ALDH1A1GAACA2
SCHEMBL9353909 0.79 CA2 (0.46) ALDH1A1MAPK1HSD17B10CA2
SCHEMBL2085785 0.78 ALDH1A1 (0.50) ALDH1A1PGRGAAPTGS1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-4205066-A Bait compositions for anthropophilic flies AIRWICK INDUSTRIES, INC. (US) 1980-05-27 US disclosed