SCHEMBL13635919

SCHEMBL13635919

CC1(C(=O)O)CCC(C)(C(=O)O)C1(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.50
ALDH1A1 P00352 3/20 0.35
MAPK1 P28482 2/20 0.33
LMNA P02545 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
POLB P06746 1/20 0.33
TP53 P04637 1/20 0.33
NFKB1 P19838 1/20 0.33
CYP2C19 P33261 1/20 0.33
THPO P40225 1/20 0.33
STAT6 P42226 1/20 0.33
HIF1A Q16665 1/20 0.33
NPC1 O15118 1/20 0.33
GMNN O75496 1/20 0.33
MTOR P42345 1/20 0.33
RAB9A P51151 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL14439315 0.87 FFAR3 (0.56) FFAR3ALDH1A1MAPK1LMNANPSR1
SCHEMBL9152847 0.87 FFAR3 (0.56) FFAR3ALDH1A1MAPK1LMNANPSR1
SCHEMBL9152850 0.87 FFAR3 (0.56) FFAR3ALDH1A1MAPK1LMNANPSR1
SCHEMBL1335666 0.82 FFAR3 (0.40) FFAR3ALDH1A1
SCHEMBL28220169 0.81 FFAR3 (0.43) FFAR3ALDH1A1MAPK1LMNANPSR1
SCHEMBL28783711 0.80 FFAR3 (0.39) FFAR3ALDH1A1
SCHEMBL29064032 0.79 FFAR3 (0.48) FFAR3ALDH1A1MAPK1LMNANPSR1
SCHEMBL2532619 0.78 FFAR3 (0.37) FFAR3
SCHEMBL21950905 0.75 FFAR3 (0.50) FFAR3ALDH1A1MAPK1LMNANPSR1
SCHEMBL21950902 0.75 FFAR3 (0.50) FFAR3ALDH1A1MAPK1LMNANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3524326-A1 FIRE EXTINGUISHING AGENT DIC Corporation (JP) 2019-08-14 EP disclosed
US-20190217139-A1 FIRE EXTINGUISHING AGENT DIC CORPORATION (JP) 2019-07-18 US disclosed
EP-1275417-B1 Fire extinguishing composition DAINIPPON INK & CHEMICALS (JP) 2009-11-18 EP disclosed