SCHEMBL8825460

SCHEMBL8825460

CCCc1c(OCCCOc2ccc(C#Cc3ccc(C(=O)OC)cc3)nc2CCC(=O)OC)ccc(C(C)=O)c1OC

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.43
PPARD Q03181 2/20 0.43
PPARA Q07869 2/20 0.43
CYSLTR2 Q9NS75 11/20 0.42
CYSLTR1 Q9Y271 11/20 0.42
LTB4R Q15722 3/20 0.42
LTB4R2 Q9NPC1 2/20 0.42
GRM2 Q14416 4/20 0.39
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
NFKB1 P19838 1/20 0.37
BLM P54132 1/20 0.37

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
SCHEMBL8825493 0.91 PPARG (0.54) PPARGPPARDPPARACYSLTR2CYSLTR1
SCHEMBL8825377 0.87 CYSLTR2 (0.49) PPARGPPARDPPARACYSLTR2CYSLTR1
SCHEMBL8825418 0.83 PPARG (0.41) PPARGPPARALTB4R
SCHEMBL8825101 0.83 MAPT (0.39) PPARGPPARALTB4RLMNAMAPT
SCHEMBL8825187 0.79 CYSLTR2 (0.51) PPARGPPARDPPARACYSLTR2CYSLTR1
SCHEMBL8825193 0.74 LTB4R (0.45) PPARGPPARACYSLTR2CYSLTR1LTB4R
SCHEMBL8825203 0.74 ALOX15 (0.36)
SCHEMBL8977815 0.73 CYSLTR1 (0.45) PPARGPPARDPPARACYSLTR2CYSLTR1
SCHEMBL8977829 0.73 CYSLTR2 (0.45) PPARGPPARDPPARACYSLTR2CYSLTR1
SCHEMBL8825269 0.72 PTPN11 (0.41) CYP1A2MAPTCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5624943-A Pyridine compounds which are useful as leukotriene-B4 -antagonists SCHERING AKTIENGESELLSCHAFT (DE) 1997-04-29 US disclosed