SCHEMBL8418863

SCHEMBL8418863

CCN(CC)C(=O)/C(C)=C\c1cc(OCC(=O)O)cc(OCc2ccccc2Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 8/20 0.52
LTB4R2 Q9NPC1 8/20 0.52
MAOB P27338 2/20 0.44
MAOA P21397 1/20 0.44
NR4A2 P43354 2/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
FABP4 P15090 1/20 0.39
FABP5 Q01469 1/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
MEN1 O00255 1/20 0.38
SLC26A4 O43511 1/20 0.38
FFAR1 O14842 2/20 0.38
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
S1PR4 O95977 1/20 0.37

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
SCHEMBL8422311 0.88 LTB4R (0.52) LTB4RLTB4R2MAOBKMT2AMEN1
SCHEMBL8420359 0.81 LTB4R (0.52) LTB4RLTB4R2FFAR1PPARGPPARD
SCHEMBL7988629 0.80 LTB4R (0.73) LTB4RLTB4R2MAOBMAOANR4A2
SCHEMBL7988633 0.80 LTB4R (0.73) LTB4RLTB4R2MAOBMAOANR4A2
SCHEMBL7988639 0.80 LTB4R (0.73) LTB4RLTB4R2MAOBMAOANR4A2
SCHEMBL8418438 0.77 LTB4R (0.54) LTB4RLTB4R2RAB9AKMT2AMAPT
SCHEMBL8571699 0.73 LTB4R (0.52) LTB4RLTB4R2RAB9AKMT2AMAPT
SCHEMBL8420169 0.73 LTB4R (0.52) LTB4RLTB4R2RAB9ANPC1KMT2A
SCHEMBL8569978 0.73 LTB4R (0.52) LTB4RLTB4R2RAB9ANPC1KMT2A
SCHEMBL8564500 0.73 LTB4R (0.65) LTB4RLTB4R2RAB9AKMT2AMAPT

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