SCHEMBL8949701

SCHEMBL8949701

CCCc1cc(Oc2ccc(C(=O)OC)cc2)ccc1OCCCOc1cc(O)c(C(C)=O)cc1CC

nearest known ligand 0.80

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 15/20 0.80
LTB4R2 Q9NPC1 9/20 0.80
PPARG P37231 3/20 0.46
PPARD Q03181 1/20 0.46
PPARA Q07869 1/20 0.46
NR1H4 Q96RI1 1/20 0.43
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42

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
SCHEMBL8949687 0.90 LTB4R (0.82) LTB4RLTB4R2PPARGPPARDPPARA
SCHEMBL8949716 0.90 LTB4R (0.81) LTB4RLTB4R2PPARGPPARDPPARA
SCHEMBL8949681 0.89 LTB4R (0.77) LTB4RLTB4R2PPARD
SCHEMBL8949721 0.89 LTB4R (1.00) LTB4RLTB4R2PPARGPPARDPPARA
SCHEMBL8949599 0.84 LTB4R (0.79) LTB4RLTB4R2PPARGPPARDPPARA
SCHEMBL8949771 0.83 LTB4R (0.82) LTB4RLTB4R2PPARGPPARD
SCHEMBL8949774 0.83 LTB4R (1.00) LTB4RLTB4R2PPARGPPARDPPARA
SCHEMBL8949612 0.79 LTB4R (0.80) LTB4RLTB4R2PPARD
SCHEMBL8949619 0.78 LTB4R (0.78) LTB4RLTB4R2PPARD
SCHEMBL8949622 0.77 LTB4R (1.00) LTB4RLTB4R2PPARD

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