SCHEMBL7544559

SCHEMBL7544559

CC(=O)CCCCCCCCCCCCCCc1c[nH]nn1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 4/20 0.37
CES1 P23141 4/20 0.33
NCEH1 Q6PIU2 1/20 0.33
PPARA Q07869 1/20 0.33
TBXAS1 P24557 5/20 0.31
ALDH1A1 P00352 2/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
KCNH2 Q12809 1/20 0.30

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
SCHEMBL29625440 0.98 PAOX (0.34) PAOXCES1NCEH1PPARAALDH1A1
SCHEMBL10989094 0.93 ALDH1A1 (0.33) PAOXALDH1A1LMNA
SCHEMBL10988611 0.86 ALDH1A1 (0.38) ALDH1A1LMNAHPGD
SCHEMBL8464935 0.85 TBXAS1 (0.45) PPARATBXAS1LMNA
SCHEMBL5534335 0.85 TBXAS1 (0.45) PPARATBXAS1LMNA
SCHEMBL8467504 0.85 TBXAS1 (0.35) CES1NCEH1TBXAS1
SCHEMBL5537212 0.85 TBXAS1 (0.45) PPARATBXAS1LMNA
SCHEMBL5536332 0.83 TBXAS1 (0.42) PPARATBXAS1LMNA
SCHEMBL25754861 0.83 TBXAS1 (0.40) TBXAS1
SCHEMBL8642111 0.82 HDAC3 (0.36) CES1NCEH1TBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0835250-B1 IMINOOXYBENZYL COMPOUNDS AND THEIR USE AS PESTICIDES AND FUNGICIDES BASF AG (DE) 2002-05-22 EP claimed
EP-0835249-B1 IMINOOXYMETHYLENE ANILIDES AND THEIR USE AS PESTICIDES AND FUNGICIDES BASF AG (DE) 2001-08-29 EP claimed
EP-0427168-B1 Optical isomer of triazolylpentenols, and their production and use as fungicide, herbicide and/or plant growth regulant SUMITOMO CHEMICAL CO (JP) 1996-03-13 EP claimed
EP-0329015-B1 Substituted triazoles BAYER AG (DE) 1994-03-30 EP claimed
EP-0224056-B1 TRIAZOLYLGLYCOL ETHERS, FUNGICIDES AND BIOREGULATORS BASF Aktiengesellschaft (DE) 1991-01-23 EP claimed
EP-0129771-B1 PROCESS FOR THE PREPARATION OF E-ISOMERS OF 1-CYCLOHEXYL-2-(1,2,4-TRIAZOL-1-YL)-1-PENTEN-3-ONES BAYER AG (DE) 1988-10-05 EP claimed
EP-0044425-B1 HALOGENATED TRIAZOLYLVINYL-KETO AND CARBINOL DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES AND PLANT GROWTH REGULATORS BAYER AG (DE) 1985-09-18 EP claimed
EP-0061051-B1 SUBSTITUTED TRIAZOLYLMETHYL OXIRANES, PROCESS FOR THEIR PREPARATION AND THEIR APPLICATION AS INTERMEDIATES BAYER AG (DE) 1985-09-18 EP claimed
EP-0022975-B1 TRIAZOLYL-ALKENE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES BAYER AG (DE) 1983-01-26 EP claimed
EP-0015387-B1 1-VINYLTRIAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS GROWTH REGULATING AGENTS AND FUNGICIDES BAYER AG (DE) 1983-01-12 EP claimed
EP-0016323-B1 1-ALLYLTRIAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS PLANT PROTECTING AGENTS BAYER AG (DE) 1982-09-29 EP claimed