SCHEMBL8304537

SCHEMBL8304537

CCCCCCC(O)/C=C/C=O

nearest known ligand 0.96

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAPDH P04406 2/20 0.96
TRPA1 O75762 1/20 0.96
DDAH1 O94760 1/20 0.96
MAPT P10636 1/20 0.96
PPARG P37231 2/20 0.55
GPR132 Q9UNW8 1/20 0.55
ACHE P22303 1/20 0.53
BACE1 P56817 1/20 0.53
FPR2 P25090 2/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
LTB4R2 Q9NPC1 1/20 0.49
FAAH O00519 1/20 0.47
OXER1 Q8TDS5 1/20 0.47

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
SCHEMBL8304538 1.00 GAPDH (0.96) GAPDHTRPA1DDAH1MAPTPPARG
SCHEMBL28058254 1.00 GAPDH (0.96) GAPDHTRPA1DDAH1MAPTPPARG
SCHEMBL8309540 1.00 GAPDH (0.96) GAPDHTRPA1DDAH1MAPTPPARG
SCHEMBL8309537 1.00 GAPDH (0.96) GAPDHTRPA1DDAH1MAPTPPARG
4-Hydroxynon-2-Enal SCHEMBL3920 0.98 GAPDH (1.00) GAPDHTRPA1DDAH1MAPTPPARG
4-Hydroxynon-2-Enal SCHEMBL2890600 0.98 GAPDH (1.00) GAPDHTRPA1DDAH1MAPTPPARG
4-Hydroxynon-2-Enal SCHEMBL2890601 0.98 GAPDH (1.00) GAPDHTRPA1DDAH1MAPTPPARG
4-Hydroxynon-2-Enal SCHEMBL30767210 0.98 GAPDH (1.00) GAPDHTRPA1DDAH1MAPTPPARG
4-Hydroxynon-2-Enal SCHEMBL3921 0.98 GAPDH (1.00) GAPDHTRPA1DDAH1MAPTPPARG
4-Hydroxynon-2-Enal SCHEMBL2267834 0.96 GAPDH (0.96) GAPDHTRPA1DDAH1MAPTPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105572253-A Method for detecting 4-HHE and 4-HNE in oil through high performance liquid chromatography UNIV SHANGHAI JIAOTONG 2016-05-11 CN disclosed
EP-0650599-B1 METHOD OF COLORIMETRIC ANALYSIS OF MALONIC DIALDEHYDE AND 4-HYDROXY-2-ENALDEHYDES AS INDEXES OF LIPID PEROXIDATION, KITS FOR CARRYING OUT SAID METHOD, SUBSTITUTED INDOLES FOR USE IN SAID METHOD AND THEIR PREPARATION OXIS ISLE OF MAN LIMITED (GB) 1999-11-03 EP disclosed
US-5726063-A Method of colorimetric analysis of malonic dialdehyde and 4-hydroxy-2-enaldehydes as indexes of lipid peroxidation, kits for carrying out said method, substituted indoles for use in said method and their preparation OXIS ISLE OF MAN, LIMITED (US) 1998-03-10 US disclosed
EP-0650599-A1 METHOD OF COLORIMETRIC ANALYSIS OF MALONIC DIALDEHYDE AND 4-HYDROXY-2-ENALDEHYDES AS INDEXES OF LIPID PEROXIDATION, KITS FOR CARRYING OUT SAID METHOD, SUBSTITUTED INDOLES FOR USE IN SAID METHOD AND THEIR PREPARATION OXIS INTERNATIONAL S.A. (FR) 1995-05-03 EP disclosed
WO-1994027155-A1 METHOD OF COLORIMETRIC ANALYSIS OF MALONIC DIALDEHYDE AND 4-HYDROXY-2-ENALDEHYDES AS INDEXES OF LIPID PEROXIDATION, KITS FOR CARRYING OUT SAID METHOD, SUBSTITUTED INDOLES FOR USE IN SAID METHOD AND THEIR PREPARATION BIOXYTECH (FR) 1994-11-24 WO disclosed