SCHEMBL8670848

SCHEMBL8670848

CCCc1c(OCCCO)ccc2c1OC(C(=O)OCC)CC2

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 19/20 0.61
LTB4R2 Q9NPC1 10/20 0.59
CYSLTR2 Q9NS75 1/20 0.51
CYSLTR1 Q9Y271 1/20 0.51

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
SCHEMBL8586654 0.92 LTB4R (0.59) LTB4RLTB4R2CYSLTR2CYSLTR1
SCHEMBL9821777 0.91 LTB4R (0.62) LTB4RLTB4R2
SCHEMBL10636370 0.89 LTB4R (0.57) LTB4RLTB4R2CYSLTR2CYSLTR1
SCHEMBL8661184 0.89 LTB4R (0.75) LTB4RLTB4R2CYSLTR2CYSLTR1
SCHEMBL8995684 0.84 LTB4R (0.64) LTB4RLTB4R2
SCHEMBL9048704 0.83 LTB4R (0.85) LTB4RLTB4R2
SCHEMBL8957123 0.82 LTB4R (0.61) LTB4RLTB4R2
SCHEMBL8583520 0.82 LTB4R (0.83) LTB4RLTB4R2CYSLTR2CYSLTR1
SCHEMBL10639079 0.82 LTB4R (0.62) LTB4RLTB4R2CYSLTR2CYSLTR1
SCHEMBL8957027 0.82 LTB4R (0.60) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0579412-B1 1,2,4-trioxygenated benzene derivatives useful as a leukotriene antagonists LILLY CO ELI (US) 1998-10-07 EP disclosed
US-5352690-A For asthma, allergies ELI LILLY AND COMPANY (US) 1994-10-04 US disclosed
EP-0579412-A1 1,2,4-trioxygenated benzene derivatives useful as a leukotriene antagonists ELI LILLY AND COMPANY (US) 1994-01-19 EP disclosed