SCHEMBL8977829

SCHEMBL8977829

CCCc1c(OCCCOc2cccc(OCc3cccc(C(=O)OC)n3)c2CCC(=O)OC)ccc(C(C)=O)c1OC

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 10/20 0.45
CYSLTR1 Q9Y271 10/20 0.45
LTB4R Q15722 6/20 0.44
LTB4R2 Q9NPC1 5/20 0.44
PPARG P37231 1/20 0.44
PPARD Q03181 1/20 0.44
PPARA Q07869 1/20 0.44
MRGPRX4 Q96LA9 2/20 0.44
PDE5A O76074 1/20 0.41

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
SCHEMBL9037117 0.90 MRGPRX4 (0.52) CYSLTR2CYSLTR1LTB4RLTB4R2MRGPRX4
SCHEMBL8777268 0.87 MRGPRX4 (0.40) LTB4RLTB4R2PPARGPPARDPPARA
SCHEMBL8977804 0.86 CYSLTR2 (0.53) CYSLTR2CYSLTR1LTB4RLTB4R2
SCHEMBL8977815 0.82 CYSLTR1 (0.45) CYSLTR2CYSLTR1LTB4RLTB4R2PPARG
SCHEMBL2894665 0.80 MRGPRX4 (0.53) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL8977832 0.79 CYSLTR2 (0.55) CYSLTR2CYSLTR1LTB4RLTB4R2PPARG
SCHEMBL8825187 0.78 CYSLTR2 (0.51) CYSLTR2CYSLTR1LTB4RLTB4R2PPARG
SCHEMBL8777242 0.77 CYSLTR2 (0.69) CYSLTR2CYSLTR1LTB4RLTB4R2PPARG
SCHEMBL8777258 0.77 MRGPRX4 (0.53) MRGPRX4PDE5A
SCHEMBL8777254 0.76 MRGPRX4 (0.40) CYSLTR2CYSLTR1LTB4RLTB4R2PPARG

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-5559134-A Leukotriene-B4 antagonists, process for their production and their use as pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 1996-09-24 US claimed
US-5559134-A Leukotriene-B4 antagonists, process for their production and their use as pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 1996-09-24 US disclosed