SCHEMBL8420132

SCHEMBL8420132

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

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.42
ALOX5 P09917 2/20 0.42
PPARG P37231 2/20 0.42
LTB4R Q15722 5/20 0.41
LTB4R2 Q9NPC1 5/20 0.41
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
AKR1C3 P42330 1/20 0.39

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
SCHEMBL8422487 0.87 KDM4E (0.46) PTGESALOX5PPARGAKR1C3
SCHEMBL8573087 0.86 LTB4R (0.50) PTGESALOX5PPARGLTB4RLTB4R2
SCHEMBL8418931 0.86 LTB4R (0.50) PTGESALOX5PPARGLTB4RLTB4R2
SCHEMBL8420123 0.86 AKR1C3 (0.46) PTGESALOX5PPARGLTB4RLTB4R2
SCHEMBL8560590 0.83 TSHR (0.40) PTGESALOX5PPARGAKR1C3
SCHEMBL8422459 0.81 PPARG (0.46) PTGESALOX5PPARGAKR1C3
SCHEMBL8422418 0.81 S1PR1 (0.45) PTGESALOX5PPARGLTB4RLTB4R2
SCHEMBL8418898 0.80 LTB4R (0.65) LTB4RLTB4R2
SCHEMBL8420129 0.78 LTB4R (0.67) LTB4RLTB4R2
SCHEMBL8420619 0.78 LTB4R (0.67) LTB4RLTB4R2

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 4 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 claimed
WO-1998013347-A1 ARYL-SUBSTITUTED ACRYLAMIDES WITH LEUKOTRIENE B4 (LTB-4) RECEPTOR ANTAGONIST ACTIVITY NOVARTIS AG (CH) 1998-04-02 WO claimed
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