SCHEMBL8002772

SCHEMBL8002772

CCCCCCCCCC(CCCCCCCC)OC(=O)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
LCK P06239 1/20 0.40
PPARD Q03181 1/20 0.40
ZDHHC20 Q5W0Z9 1/20 0.40
ZDHHC2 Q9UIJ5 1/20 0.40
GPR84 Q9NQS5 7/20 0.38
FFAR1 O14842 1/20 0.38
ZDHHC7 Q9NXF8 1/20 0.37
MAPK10 P53779 1/20 0.37
PNLIP P16233 2/20 0.37
MAPT P10636 1/20 0.37
FAAH O00519 3/20 0.36
PRKCA P17252 1/20 0.36
PRKCD Q05655 1/20 0.36
GLS2 Q9UI32 2/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35

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
SCHEMBL8002773 0.94 ZDHHC7 (0.41) ALDH1A1LCKPPARDZDHHC20ZDHHC2
SCHEMBL27922465 0.93 PRKCA (0.44) ALDH1A1LCKPPARDZDHHC20ZDHHC2
SCHEMBL11406304 0.78 PRKCA (0.49) ALDH1A1LCKPPARDZDHHC20ZDHHC2
SCHEMBL7995519 0.77 ALDH1A1 (0.49) ALDH1A1MAPT
SCHEMBL10976925 0.77 F2 (0.31)
SCHEMBL7946728 0.77 ALDH1A1 (0.49) ALDH1A1MAPT
SCHEMBL9856688 0.77 ALDH1A1 (0.49) ALDH1A1MAPT
SCHEMBL8470318 0.77 ALDH1A1 (0.49) ALDH1A1MAPT
SCHEMBL27650426 0.73 ALDH1A1 (0.60) ALDH1A1
SCHEMBL11871467 0.73 ESR1 (0.50) ALDH1A1

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-1012133-A4 NOVEL FLAME RETARDANT PLASTICIZERS GREAT LAKES CHEMICAL CORP (US) 2000-08-30 EP disclosed
EP-1012133-A2 NOVEL FLAME RETARDANT PLASTICIZERS GREAT LAKES CHEMICAL CORPORATION (US) 2000-06-28 EP disclosed
WO-1998057920-A2 NOVEL FLAME RETARDANT PLASTICIZERS GREAT LAKES CHEMICAL CORPORATION (US) 1998-12-23 WO disclosed