SCHEMBL8422344

SCHEMBL8422344

CCN(CC)C(=O)/C(C)=C\c1cnc(OCc2c(F)cccc2F)c(OCC(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 12/20 0.53
LTB4R2 Q9NPC1 12/20 0.53
PKM P14618 1/20 0.34
KDM4E B2RXH2 1/20 0.34
FFAR1 O14842 3/20 0.34
PPARD Q03181 3/20 0.34
PTGER1 P34995 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 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
SCHEMBL8418885 0.87 LTB4R (0.65) LTB4RLTB4R2PKMKDM4EFFAR1
SCHEMBL8420359 0.82 LTB4R (0.52) LTB4RLTB4R2FFAR1PPARDPPARG
SCHEMBL8418922 0.81 LTB4R (0.57) LTB4RLTB4R2PPARDPTGER1MAPT
SCHEMBL7990479 0.80 LTB4R (0.75) LTB4RLTB4R2
SCHEMBL7990475 0.80 LTB4R (0.75) LTB4RLTB4R2
SCHEMBL7990481 0.80 LTB4R (0.75) LTB4RLTB4R2
SCHEMBL8565773 0.77 LTB4R (0.53) LTB4RLTB4R2PKMKDM4EPTGER1
SCHEMBL8418898 0.77 LTB4R (0.65) LTB4RLTB4R2PTGER1MAPT
SCHEMBL8418430 0.77 LTB4R (0.52) LTB4RLTB4R2PKMKDM4EFFAR1
SCHEMBL4961192 0.77 LTB4R (0.49) LTB4RLTB4R2PKMKDM4EPTGER1

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