SCHEMBL4961192

SCHEMBL4961192

CCN(CC)C(=O)/C(C)=C\c1ccc(OCc2c(F)cccc2F)c(OC(C)=O)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 4/20 0.49
LTB4R2 Q9NPC1 4/20 0.49
APP P05067 3/20 0.39
ALDH1A1 P00352 5/20 0.36
PKM P14618 1/20 0.36
PTGER1 P34995 2/20 0.35
MAPT P10636 1/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
KDM4E B2RXH2 1/20 0.34
TUBB1 Q9H4B7 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL8418885 0.88 LTB4R (0.65) LTB4RLTB4R2APPALDH1A1PKM
SCHEMBL8565773 0.86 LTB4R (0.53) LTB4RLTB4R2APPALDH1A1PKM
SCHEMBL8422218 0.84 LTB4R (0.50) LTB4RLTB4R2APPALDH1A1PKM
SCHEMBL8418898 0.84 LTB4R (0.65) LTB4RLTB4R2APPALDH1A1PTGER1
SCHEMBL8418922 0.82 LTB4R (0.57) LTB4RLTB4R2ALDH1A1PTGER1MAPT
SCHEMBL8418430 0.78 LTB4R (0.52) LTB4RLTB4R2APPALDH1A1PKM
SCHEMBL8422344 0.77 LTB4R (0.53) LTB4RLTB4R2PKMPTGER1MAPT
SCHEMBL8564500 0.76 LTB4R (0.65) LTB4RLTB4R2APPALDH1A1MAPT
SCHEMBL8420359 0.76 LTB4R (0.52) LTB4RLTB4R2LMNA
SCHEMBL8420802 0.73 LTB4R (0.46) LTB4RLTB4R2APPALDH1A1MAPT

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-1888033-A2 METHOD AND COMPOSITION FOR TREATING INFLAMMATORY DISORDERS Biolipox AB (SE) 2008-02-20 EP disclosed
EP-1742622-A1 USE OF LTB4 INHIBITORS FOR THE TREATMENT OF B-CELL LEUKEMIAS AND LYMPHOMAS Biolipox AB (SE) 2007-01-17 EP disclosed
WO-2006131737-A2 METHOD AND COMPOSITION FOR TREATING INFLAMMATORY DISORDERS BIOLIPOX AB (SE) 2006-12-14 WO disclosed
WO-2005107725-A1 USE OF LTB4 INHIBITORS FOR THE TREATMENT OF B-CELL LEUKEMIAS AND LYMPHOMAS BIOLIPOX AB (SE) 2005-11-17 WO disclosed