SCHEMBL8418898

SCHEMBL8418898

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

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 9/20 0.65
LTB4R2 Q9NPC1 9/20 0.65
PTGER1 P34995 2/20 0.40
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
APP P05067 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SLC22A12 Q96S37 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33

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
SCHEMBL8422218 0.88 LTB4R (0.50) LTB4RLTB4R2PTGER1MEN1LMNA
SCHEMBL8418885 0.86 LTB4R (0.65) LTB4RLTB4R2MEN1KMT2AAPP
SCHEMBL8565773 0.85 LTB4R (0.53) LTB4RLTB4R2PTGER1MEN1LMNA
SCHEMBL4961192 0.84 LTB4R (0.49) LTB4RLTB4R2PTGER1MEN1LMNA
SCHEMBL8418922 0.81 LTB4R (0.57) LTB4RLTB4R2PTGER1MEN1KMT2A
SCHEMBL8420132 0.80 PTGES (0.42) LTB4RLTB4R2
SCHEMBL7987218 0.78 LTB4R (1.00) LTB4RLTB4R2
SCHEMBL7987214 0.78 LTB4R (1.00) LTB4RLTB4R2
SCHEMBL7987221 0.78 LTB4R (1.00) LTB4RLTB4R2
SCHEMBL8420359 0.78 LTB4R (0.52) LTB4RLTB4R2LMNA

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