SCHEMBL2357526

SCHEMBL2357526

CCCC(OCC)=C(C(C)=O)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
FFAR3 O14843 2/20 0.36
HDAC3 O15379 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
GLO1 Q04760 1/20 0.35
ALOX15 P16050 1/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
SOAT1 P35610 1/20 0.33
HCAR2 Q8TDS4 1/20 0.32
CES1 P23141 2/20 0.32
CES2 O00748 1/20 0.32
CYP1A2 P05177 1/20 0.31
TRPA1 O75762 1/20 0.31

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
SCHEMBL5616300 0.79 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10FFAR3HDAC3
SCHEMBL5164512 0.79 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10FFAR3HDAC3
SCHEMBL7174082 0.75 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10FFAR3HDAC3
SCHEMBL10568559 0.74 CES2 (0.41) ALDH1A1LMNAHSD17B10FFAR3HDAC3
SCHEMBL16418222 0.74 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10GLO1ALOX15
SCHEMBL5515313 0.74 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10GLO1ALOX15
SCHEMBL5515317 0.74 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10GLO1ALOX15
SCHEMBL5010949 0.72 CES2 (0.42) ALDH1A1LMNAHSD17B10FFAR3HDAC3
SCHEMBL2466379 0.72 GLO1 (0.39) ALDH1A1LMNAHSD17B10FFAR3HDAC3
SCHEMBL9827441 0.72 SOAT1 (0.46) ALDH1A1LMNAHSD17B10FFAR3GLO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2352723-B1 PESTICIDAL N-ARYL- OR N-HETEROARYL PYRAZOLE CARBOXAMIDE COMPOUNDS BAYER IP GMBH (DE) 2016-11-23 EP disclosed
EP-2352723-A2 HALOGEN-SUBSTITUTED COMPOUNDS USED AS PESTICIDES Bayer CropScience AG (DE) 2011-08-10 EP disclosed
WO-2010051926-A2 NEW HALOGEN-SUBSTITUTED BONDS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2010-05-14 WO disclosed
EP-2184273-A1 Halogen substituted compounds as pesticides Bayer CropScience AG (DE) 2010-05-12 EP disclosed