SCHEMBL8949599

SCHEMBL8949599

CCCc1cc(Oc2cccc(C(=O)OCC)c2)ccc1OCCCOc1cc(O)c(C(C)=O)cc1CC

nearest known ligand 0.79

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 14/20 0.79
LTB4R2 Q9NPC1 8/20 0.79
PDE5A O76074 2/20 0.44
PPARG P37231 3/20 0.43
PPARD Q03181 2/20 0.43
PPARA Q07869 1/20 0.43

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
SCHEMBL8949771 0.89 LTB4R (0.82) LTB4RLTB4R2PPARGPPARD
SCHEMBL8949589 0.89 LTB4R (0.77) LTB4RLTB4R2PDE5A
SCHEMBL8949774 0.89 LTB4R (1.00) LTB4RLTB4R2PDE5APPARGPPARD
SCHEMBL8949701 0.84 LTB4R (0.80) LTB4RLTB4R2PPARGPPARDPPARA
SCHEMBL8949687 0.83 LTB4R (0.82) LTB4RLTB4R2PPARGPPARDPPARA
SCHEMBL8949716 0.83 LTB4R (0.81) LTB4RLTB4R2PPARGPPARDPPARA
SCHEMBL8949721 0.82 LTB4R (1.00) LTB4RLTB4R2PPARGPPARDPPARA
SCHEMBL8949588 0.78 LTB4R (0.80) LTB4RLTB4R2PDE5A
SCHEMBL8949857 0.78 CA12 (0.50) LTB4RLTB4R2
SCHEMBL8949594 0.77 LTB4R (1.00) LTB4RLTB4R2PDE5A

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-5552441-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS AND RESPIRATORY SYSTEM DISORDERS ELI LILLY AND COMPANY (US) 1996-09-03 US disclosed
US-5324743-A Leukotriene B4 antagonists ELI LILLY AND COMPANY (US) 1994-06-28 US disclosed