SCHEMBL8949773

SCHEMBL8949773

CCc1cc(C(C)=O)c(O)cc1OCCCOc1cccc(Oc2ccccc2C(=O)OC)c1

nearest known ligand 0.79

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 15/20 0.79
LTB4R2 Q9NPC1 12/20 0.79
MAPT P10636 3/20 0.48
LMNA P02545 1/20 0.48
CYSLTR2 Q9NS75 1/20 0.44
CYSLTR1 Q9Y271 1/20 0.44
HSP90AA1 P07900 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PDE5A O76074 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
SCHEMBL8949580 0.90 LTB4R (0.82) LTB4RLTB4R2MAPTLMNA
SCHEMBL8949715 0.89 LTB4R (0.80) LTB4RLTB4R2MAPTLMNA
SCHEMBL8949720 0.88 LTB4R (1.00) LTB4RLTB4R2MAPTLMNACYSLTR2
SCHEMBL9314417 0.87 LTB4R (0.61) LTB4RLTB4R2MAPTLMNAPDE5A
SCHEMBL8949707 0.84 LTB4R (0.79) LTB4RLTB4R2
SCHEMBL8949589 0.80 LTB4R (0.77) LTB4RLTB4R2MAPTLMNAL3MBTL1
SCHEMBL8949588 0.80 LTB4R (0.80) LTB4RLTB4R2PDE5A
SCHEMBL8949594 0.79 LTB4R (1.00) LTB4RLTB4R2PDE5A
SCHEMBL8949681 0.79 LTB4R (0.77) LTB4RLTB4R2MAPTL3MBTL1PDE5A
SCHEMBL7748615 0.76 LTB4R (0.82) 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