SCHEMBL8949588

SCHEMBL8949588

CCc1cc(C(C)=O)c(O)cc1OCCCOc1cccc(Oc2cccc(C(=O)O)c2)c1.[NaH].[NaH]

nearest known ligand 0.80

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 12/20 0.80
LTB4R2 Q9NPC1 9/20 0.80
KMT2A Q03164 1/20 0.50
PDE5A O76074 3/20 0.48
NR1H4 Q96RI1 2/20 0.46

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
SCHEMBL8949594 0.89 LTB4R (1.00) LTB4RLTB4R2PDE5A
SCHEMBL8949771 0.89 LTB4R (0.82) LTB4RLTB4R2
SCHEMBL8949589 0.88 LTB4R (0.77) LTB4RLTB4R2PDE5A
SCHEMBL8949715 0.87 LTB4R (0.80) LTB4RLTB4R2
SCHEMBL8949580 0.86 LTB4R (0.82) LTB4RLTB4R2
SCHEMBL8949619 0.85 LTB4R (0.78) LTB4RLTB4R2
SCHEMBL8949612 0.84 LTB4R (0.80) LTB4RLTB4R2
SCHEMBL8949773 0.80 LTB4R (0.79) LTB4RLTB4R2PDE5A
SCHEMBL8949720 0.80 LTB4R (1.00) LTB4RLTB4R2PDE5A
SCHEMBL8949716 0.79 LTB4R (0.81) LTB4RLTB4R2

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