SCHEMBL8420359

SCHEMBL8420359

CCN(CC)C(=O)/C(C)=C\c1cc(OCC(=O)O)cc(OCc2c(F)cccc2F)c1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 8/20 0.52
LTB4R2 Q9NPC1 8/20 0.52
FFAR1 O14842 6/20 0.41
PPARD Q03181 6/20 0.41
PPARA Q07869 6/20 0.41
PPARG P37231 5/20 0.41
LMNA P02545 1/20 0.38

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 0.89 LTB4R (0.52) LTB4RLTB4R2FFAR1PPARDPPARA
SCHEMBL8418885 0.84 LTB4R (0.65) LTB4RLTB4R2FFAR1PPARDPPARA
SCHEMBL8422344 0.82 LTB4R (0.53) LTB4RLTB4R2FFAR1PPARDPPARA
SCHEMBL8418863 0.81 LTB4R (0.52) LTB4RLTB4R2FFAR1PPARDPPARA
SCHEMBL7994001 0.80 LTB4R (0.72) LTB4RLTB4R2
SCHEMBL7994006 0.80 LTB4R (0.72) LTB4RLTB4R2
SCHEMBL7994009 0.80 LTB4R (0.72) LTB4RLTB4R2
SCHEMBL8418922 0.78 LTB4R (0.57) LTB4RLTB4R2PPARD
SCHEMBL8418898 0.78 LTB4R (0.65) LTB4RLTB4R2LMNA
SCHEMBL8565773 0.77 LTB4R (0.53) 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