SCHEMBL8420123

SCHEMBL8420123

CCN(CC)C(=O)/C(C)=C\c1ccc(OCCc2ccccc2)c(OCCC(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 5/20 0.46
LTB4R Q15722 3/20 0.44
LTB4R2 Q9NPC1 3/20 0.44
APP P05067 2/20 0.43
PTGES O14684 3/20 0.42
ALOX5 P09917 3/20 0.42
PPARG P37231 3/20 0.42
S1PR1 P21453 2/20 0.41
LMNA P02545 1/20 0.41
S1PR3 Q99500 1/20 0.40

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
SCHEMBL8573087 0.92 LTB4R (0.50) AKR1C3LTB4RLTB4R2APPPTGES
SCHEMBL8418931 0.92 LTB4R (0.50) AKR1C3LTB4RLTB4R2APPPTGES
SCHEMBL8422487 0.87 KDM4E (0.46) AKR1C3APPPTGESALOX5PPARG
SCHEMBL8420132 0.86 PTGES (0.42) AKR1C3LTB4RLTB4R2PTGESALOX5
SCHEMBL8422459 0.85 PPARG (0.46) AKR1C3APPPTGESALOX5PPARG
SCHEMBL8560590 0.83 TSHR (0.40) AKR1C3APPPTGESALOX5PPARG
SCHEMBL8565773 0.82 LTB4R (0.53) LTB4RLTB4R2APPLMNA
SCHEMBL8418438 0.80 LTB4R (0.54) LTB4RLTB4R2S1PR1LMNA
SCHEMBL8420120 0.78 LTB4R (0.71) LTB4RLTB4R2
SCHEMBL8422495 0.75 LTB4R (0.52) AKR1C3LTB4RLTB4R2APPPPARG

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