SCHEMBL8949580

SCHEMBL8949580

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

nearest known ligand 0.82

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 19/20 0.82
LTB4R2 Q9NPC1 16/20 0.82
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50

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
SCHEMBL8949715 0.99 LTB4R (0.80) LTB4RLTB4R2LMNAMAPT
SCHEMBL8949720 0.90 LTB4R (1.00) LTB4RLTB4R2LMNAMAPT
SCHEMBL8949773 0.90 LTB4R (0.79) LTB4RLTB4R2LMNAMAPT
SCHEMBL8949588 0.86 LTB4R (0.80) LTB4RLTB4R2
SCHEMBL7748615 0.86 LTB4R (0.82) LTB4RLTB4R2
SCHEMBL8949556 0.85 LTB4R (0.80) LTB4RLTB4R2
SCHEMBL8949576 0.83 LTB4R (0.80) LTB4RLTB4R2
SCHEMBL8949594 0.81 LTB4R (1.00) LTB4RLTB4R2
SCHEMBL8949589 0.80 LTB4R (0.77) LTB4RLTB4R2LMNAMAPT
SCHEMBL9005763 0.79 PTPN11 (0.63) LMNAMAPT

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