SCHEMBL8994928

SCHEMBL8994928

COc1cc(C(=O)N(C(C)C)C(C)C)ccc1OCCCCCOc1ccc(C(N)=O)cc1

nearest known ligand 0.84

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 3/20 0.84
LTB4R2 Q9NPC1 1/20 0.75
PRSS1 P07477 4/20 0.52
PLA2G4B P0C869 1/20 0.50
MAPK1 P28482 1/20 0.50
MAPT P10636 2/20 0.47
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45
REN P00797 1/20 0.45
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAOB P27338 1/20 0.44

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
Moxilubant SCHEMBL29388138 0.91 LTB4R (1.00) LTB4RLTB4R2PRSS1PLA2G4B
Moxilubant SCHEMBL6439215 0.91 LTB4R (1.00) LTB4RLTB4R2PRSS1PLA2G4B
Moxilubant SCHEMBL8994884 0.90 LTB4R (0.98) LTB4RLTB4R2PRSS1
SCHEMBL8747956 0.89 LTB4R (0.78) LTB4RLTB4R2PRSS1PLA2G4BMAPT
SCHEMBL8747955 0.89 LTB4R (0.78) LTB4RLTB4R2PRSS1PLA2G4BMAPT
SCHEMBL8748241 0.89 LTB4R (0.78) LTB4RLTB4R2PRSS1PLA2G4BMAPT
SCHEMBL8748238 0.89 LTB4R (0.78) LTB4RLTB4R2PRSS1PLA2G4BMAPT
SCHEMBL8747967 0.88 LTB4R (0.76) LTB4RLTB4R2PRSS1PLA2G4BMAPK1
SCHEMBL8747965 0.88 LTB4R (0.76) LTB4RLTB4R2PRSS1PLA2G4BMAPK1
SCHEMBL14378909 0.88 LTB4R (0.94) LTB4RLTB4R2PRSS1

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
US-5488160-A LEUKOTRIENE B4 RECEPTOR ANTAGONIST AS ANTIINFLAMMATORY AGENTS CIBA-GEIGY CORPORATION (US) 1996-01-30 US disclosed
US-5451700-A Leukotriene inhibitors CIBA-GEIGY CORPORATION (US) 1995-09-19 US disclosed