SCHEMBL8565773

SCHEMBL8565773

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

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 8/20 0.53
LTB4R2 Q9NPC1 8/20 0.53
APP P05067 2/20 0.39
PTGER1 P34995 1/20 0.37
PKM P14618 1/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL8418885 0.90 LTB4R (0.65) LTB4RLTB4R2APPPKMKDM4E
SCHEMBL4961192 0.86 LTB4R (0.49) LTB4RLTB4R2APPPTGER1PKM
SCHEMBL8418898 0.85 LTB4R (0.65) LTB4RLTB4R2APPPTGER1LMNA
SCHEMBL8418922 0.84 LTB4R (0.57) LTB4RLTB4R2PTGER1ALDH1A1MEN1
SCHEMBL8420123 0.82 AKR1C3 (0.46) LTB4RLTB4R2APPLMNA
SCHEMBL8422218 0.81 LTB4R (0.50) LTB4RLTB4R2APPPTGER1PKM
SCHEMBL8418430 0.81 LTB4R (0.52) LTB4RLTB4R2APPPKMLMNA
SCHEMBL7976804 0.79 LTB4R (0.82) LTB4RLTB4R2
SCHEMBL7976808 0.79 LTB4R (0.82) LTB4RLTB4R2
SCHEMBL7976799 0.79 LTB4R (0.82) LTB4RLTB4R2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0942903-A1 ARYL-SUBSTITUTED ACRYLAMIDES WITH LEUKOTRIENE B4 (LTB-4) RECEPTOR ANTAGONIST ACTIVITY Novartis AG (CH) 1999-09-22 EP disclosed
WO-1998013347-A1 ARYL-SUBSTITUTED ACRYLAMIDES WITH LEUKOTRIENE B4 (LTB-4) RECEPTOR ANTAGONIST ACTIVITY NOVARTIS AG (CH) 1998-04-02 WO disclosed