SCHEMBL5566341

SCHEMBL5566341

C#CCOc1ccccc1OC(=O)NC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
ACHE P22303 1/20 0.54
PGR P06401 1/20 0.50
GAA P10253 1/20 0.50
PTGS1 P23219 1/20 0.50
MAPK1 P28482 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MAPT P10636 1/20 0.43
PTGS2 P35354 1/20 0.42
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
NPC1 O15118 1/20 0.40
MAOB P27338 1/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2A6 P11509 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL11509683 0.88 ALDH1A1 (0.49) ALDH1A1ACHEPGRGAAPTGS1
SCHEMBL10508067 0.82 PTGS2 (0.60) ALDH1A1PTGS1HSD17B10MAPTPTGS2
SCHEMBL9325544 0.80 ALDH1A1 (0.60) ALDH1A1ACHEPGRGAAPTGS1
SCHEMBL11854401 0.78 ALDH1A1 (0.58) ALDH1A1ACHEPGRGAAPTGS1
SCHEMBL11584707 0.78 ALDH1A1 (0.50) ALDH1A1ACHEPGRGAAPTGS1
SCHEMBL18026668 0.78 HCRTR1 (0.49) GAAMAPK1MAPTNPC1
SCHEMBL11301512 0.78 PTGS2 (0.72) ALDH1A1ACHEPGRGAAPTGS1
SCHEMBL8341436 0.78 ALDH1A1 (0.57) ALDH1A1ACHEPGRGAAPTGS1
SCHEMBL10347560 0.77 MAPT (0.56) MAPK1HSD17B10MAPTNPC1MAOB
SCHEMBL30663731 0.77 MAPT (0.56) MAPK1HSD17B10MAPTNPC1MAOB

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 12 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
US-4189475-A MALTHION AND O,O-DIMETHYL S-(4-AZA-6-CHLORO-2-OXO-BENZOXAZOL-3-YL)-METHYL THIOPHOSPHATE AIRWICK INDUSTRIES INC. (US) 1980-02-19 US disclosed
US-4129601-A BIS ETHERS, PESTICIDES BASF AKTIENGESELLSCHAFT (DE) 1978-12-12 US disclosed
US-4067990-A SOLUTION OF A PHENYL N-METHYL CARBAMATE AIRWICK INDUSTRIES, INC. (US) 1978-01-10 US disclosed