SCHEMBL8420169

SCHEMBL8420169

CCN(CC)C(=O)/C(C)=C/c1ccc(OCc2ccccc2Br)c(OCC(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 10/20 0.52
LTB4R2 Q9NPC1 10/20 0.52
ALDH1A1 P00352 5/20 0.49
MAPT P10636 2/20 0.49
HTT P42858 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
FFAR4 Q5NUL3 1/20 0.44
ESRRA P11474 1/20 0.42
APP P05067 1/20 0.42
KDM4E B2RXH2 1/20 0.41
POLB P06746 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL8569978 1.00 LTB4R (0.52) LTB4RLTB4R2ALDH1A1MAPTHTT
SCHEMBL8571699 0.90 LTB4R (0.52) LTB4RLTB4R2ALDH1A1MAPTHTT
SCHEMBL8420510 0.87 ALDH1A1 (0.53) LTB4RLTB4R2ALDH1A1APPKDM4E
SCHEMBL8422455 0.83 LTB4R (0.50) LTB4RLTB4R2ALDH1A1MAPTHTT
SCHEMBL8422495 0.83 LTB4R (0.52) LTB4RLTB4R2ALDH1A1RAB9AAPP
SCHEMBL8564500 0.82 LTB4R (0.65) LTB4RLTB4R2ALDH1A1MAPTHTT
SCHEMBL8418885 0.82 LTB4R (0.65) LTB4RLTB4R2ALDH1A1MAPTHTT
SCHEMBL8418430 0.82 LTB4R (0.52) LTB4RLTB4R2ALDH1A1MAPTHTT
SCHEMBL8418931 0.82 LTB4R (0.50) LTB4RLTB4R2ALDH1A1APPKDM4E
SCHEMBL8573087 0.82 LTB4R (0.50) LTB4RLTB4R2ALDH1A1APPKDM4E

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