SCHEMBL8420508

SCHEMBL8420508

C/C(=C\C(N)=O)c1ccc(OCCc2ccccc2)c(CCCO)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 2/20 0.48
MTNR1A P48039 1/20 0.48
ELANE P08246 1/20 0.44
PDE4A P27815 2/20 0.43
PDE4B Q07343 2/20 0.43
PDE4C Q08493 2/20 0.43
PDE4D Q08499 2/20 0.43
LTB4R Q15722 1/20 0.42
LTB4R2 Q9NPC1 1/20 0.42
PTGES O14684 1/20 0.41
ALOX5 P09917 1/20 0.41
PPARG P37231 1/20 0.41
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 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
SCHEMBL8420509 1.00 MTNR1B (0.48) MTNR1BMTNR1AELANEPDE4APDE4B
SCHEMBL8418466 0.85 MEN1 (0.46) MTNR1BMTNR1AELANEPDE4APDE4B
SCHEMBL8418465 0.85 MEN1 (0.46) MTNR1BMTNR1AELANEPDE4APDE4B
SCHEMBL7990580 0.80 LTB4R (0.60) ELANELTB4RLTB4R2
SCHEMBL7990582 0.80 LTB4R (0.60) ELANELTB4RLTB4R2
SCHEMBL7990584 0.80 LTB4R (0.60) ELANELTB4RLTB4R2
SCHEMBL21391358 0.75 PTGER1 (0.54) MTNR1BMTNR1AELANE
SCHEMBL8564889 0.74 LTB4R (0.68) LTB4RLTB4R2
SCHEMBL9077759 0.73
SCHEMBL8420619 0.73 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 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