SCHEMBL993689

SCHEMBL993689

CCCCC[C](C)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 1/20 0.44
SPHK1 Q9NYA1 1/20 0.44
CES2 O00748 4/20 0.43
CES1 P23141 4/20 0.43
AKR1B1 P15121 1/20 0.42
FAAH O00519 1/20 0.41
GPR84 Q9NQS5 7/20 0.40
PPARG P37231 7/20 0.40
PPARD Q03181 7/20 0.40
PPARA Q07869 7/20 0.40
HDAC11 Q96DB2 5/20 0.40
TSHR P16473 4/20 0.40
PTPN1 P18031 3/20 0.40
ALDH1A1 P00352 2/20 0.40
TLR2 O60603 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
FABP4 P15090 2/20 0.40
SLC22A6 Q4U2R8 1/20 0.40
SLC22A8 Q8TCC7 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL28314586 0.97 SPHK2 (0.48) SPHK2SPHK1CES2CES1FAAH
SCHEMBL28315556 0.97 SPHK2 (0.48) SPHK2SPHK1CES2CES1FAAH
SCHEMBL28314327 0.97 SPHK2 (0.48) SPHK2SPHK1CES2CES1FAAH
SCHEMBL9140267 0.92 CES1 (0.42) SPHK2SPHK1CES2CES1AKR1B1
SCHEMBL11319162 0.77 CES1 (0.48) CES2CES1FAAHGPR84PPARG
SCHEMBL28499658 0.76 TSHR (0.42) CES2CES1AKR1B1FAAHGPR84
SCHEMBL11216461 0.75 CES2 (0.37) CES2CES1AKR1B1FAAHGPR84
SCHEMBL1929977 0.74 CES2 (0.46) CES2CES1AKR1B1FAAHGPR84
SCHEMBL19895687 0.74 CES2 (0.46) CES2CES1AKR1B1FAAHGPR84
SCHEMBL28902735 0.74 TSHR (0.46) CES2CES1FAAHGPR84PPARG

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1928243-A2 THIAZOLES USED AS FUNGICIDES Bayer CropScience AG (DE) 2008-06-11 EP claimed
WO-2007033780-A2 THIAZOLES USED AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2007-03-29 WO claimed
EP-4232443-A1 1-(PYRIDYL)-5-AZINYLPYRAZOLE DERIVATIVES, AND THEIR USE FOR CONTROL OF UNDESIRED PLANT GROWTH Bayer Aktiengesellschaft (DE) 2023-08-30 EP disclosed
WO-2023099381-A1 (1,4,5-TRISUBSTITUTED-1H-PYRAZOLE-3-YL)OXY-2-ALKOXYTHIO ALKYL ACIDS AND DERIVATIVES THEREOF, THEIR SALTS AND THEIR USE AS HERBICIDAL ACTIVE AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2023-06-08 WO disclosed
WO-2022253700-A1 SPECIFICALLY SUBSTITUTED PYRROLINE-2-ONES AND THEIR USE AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2022-12-08 WO disclosed
WO-2022084278-A1 1-(PYRIDYL)-5-AZINYLPYRAZOLE DERIVATIVES, AND THEIR USE FOR CONTROL OF UNDESIRED PLANT GROWTH BAYER AKTIENGESELLSCHAFT (DE) 2022-04-28 WO disclosed
EP-3938347-A1 SPECIFICALLY SUBSTITUTED 3-PHENYL-5-SPIROCYCLOPENTYL-3-PYRROLIN-2-ONES AND THEIR USE AS HERBICIDES Bayer Aktiengesellschaft (DE) 2022-01-19 EP disclosed
EP-3938350-A1 3-(2-BROM-4-ALKYNYL-6-ALKOXYPHENYL)-SUBSTITUTED 5-SPIROCYCLOHEXYL-3-PYRROLIN-2-ONES AND THEIR USE AS HERBICIDES Bayer Aktiengesellschaft (DE) 2022-01-19 EP disclosed
WO-2020187626-A1 SPECIFICALLY SUBSTITUTED 3-PHENYL-5-SPIROCYCLOPENTYL-3-PYRROLIN-2-ONES AND THEIR USE AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2020-09-24 WO disclosed
WO-2020187629-A1 3-(2-BROM-4-ALKYNYL-6-ALKOXYPHENYL)-SUBSTITUTED 5-SPIROCYCLOHEXYL-3-PYRROLIN-2-ONES AND THEIR USE AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2020-09-24 WO disclosed
WO-2019228788-A1 2-BROMO-6-ALKOXYPHENYL-SUBSTITUTED PYRROLIN-2-ONES AND THEIR USE AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2019-12-05 WO disclosed
WO-2010025851-A1 THIENYLAMINO PYRIMIDINES FOR USE AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-03-11 WO disclosed
WO-2010025833-A1 ALKOXY-SUBSTITUTED AND ALKYLTHIO-SUBSTITUTED ANILINOPYRIMIDINES BAYER CROPSCIENCE AG (DE) 2010-03-11 WO disclosed
EP-2129222-A1 DIAMINOPYRIMIDINES AS FUNGICIDES Bayer CropScience AG (DE) 2009-12-09 EP disclosed
WO-2009115267-A2 DIAMINOPYRIMIDINES AS PLANT PROTECTION AGENTS BAYER CROPSCIENCE AG (DE) 2009-09-24 WO disclosed
WO-2008107096-A1 DIAMINOPYRIMIDINES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2008-09-12 WO disclosed
EP-1928243-A2 THIAZOLES USED AS FUNGICIDES Bayer CropScience AG (DE) 2008-06-11 EP disclosed
EP-1791834-A1 5-HETEROCYCLYL PYRIMIDINES Bayer CropScience Aktiengesellschaft (DE) 2007-06-06 EP disclosed
WO-2007033780-A2 THIAZOLES USED AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2007-03-29 WO disclosed
WO-2006029867-A1 5-HETEROCYCLYL PYRIMIDINES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2006-03-23 WO disclosed