SCHEMBL9528873

SCHEMBL9528873

COC(=O)c1ccc(Cc2c(Cl)n(C)c3ccc(CC4CCN(C)C4=O)cc23)c(OC)c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.37
DPP4 P27487 1/20 0.35
CNR2 P34972 2/20 0.34
CYSLTR1 Q9Y271 5/20 0.34
CYSLTR2 Q9NS75 4/20 0.34
ATM Q13315 1/20 0.34
MAPT P10636 1/20 0.34
GLA P06280 1/20 0.34
KMT2A Q03164 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
EPHX2 P34913 1/20 0.33
PPARG P37231 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
SCHEMBL9528256 0.93 PLA2G4A (0.40) CYSLTR1CYSLTR2PPARG
SCHEMBL9528720 0.85 CYSLTR1 (0.52) CYSLTR1CYSLTR2MAPTKMT2APDE4D
SCHEMBL9531909 0.84 CYSLTR1 (0.51) CYSLTR1CYSLTR2MAPTKMT2APDE4D
SCHEMBL9526857 0.84 CYSLTR1 (0.44) CYSLTR1CYSLTR2MAPTKMT2APDE4D
SCHEMBL9527465 0.82 CYSLTR2 (0.53) CYSLTR1CYSLTR2
SCHEMBL9527741 0.77 CYSLTR2 (0.54) CYSLTR1CYSLTR2
SCHEMBL9526756 0.77 PLA2G4A (0.48) CYSLTR1CYSLTR2
SCHEMBL9490124 0.76 MAPT (0.39) TP53MAPTGLAKMT2A
SCHEMBL9527659 0.75 CYSLTR1 (0.44) CYSLTR1CYSLTR2EPHX2PPARG
SCHEMBL9491087 0.75 PLA2G4A (0.35) TP53MAPTGLAKMT2APPARG

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0337767-B1 CYCLIC AMIDES ICI AMERICAS INC. (US) 1993-01-13 EP disclosed
US-5047402-A Leukotriene Antagonists ICI AMERICAS INC. (US) 1991-09-10 US disclosed
EP-0337767-A1 Cyclic amides ICI AMERICAS INC. (US) 1989-10-18 EP disclosed