SCHEMBL6863422

SCHEMBL6863422

CCCc1c(OCCCOc2cc(-c3ccno3)ccc2CC)cccc1Oc1ccccc1C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 20/20 0.63
LTB4R2 Q9NPC1 18/20 0.63

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
SCHEMBL6863424 0.93 LTB4R (0.63) LTB4RLTB4R2
SCHEMBL6803327 0.87 LTB4R (0.74) LTB4RLTB4R2
SCHEMBL6810836 0.78 LTB4R (0.61) LTB4RLTB4R2
Etalocib SCHEMBL1649516 0.77 LTB4R (1.00) LTB4RLTB4R2
Etalocib SCHEMBL29379752 0.77 LTB4R (1.00) LTB4RLTB4R2
SCHEMBL6802564 0.77 LTB4R (0.75) LTB4RLTB4R2
Etalocib SCHEMBL6356831 0.76 LTB4R (0.98) LTB4RLTB4R2
Etalocib SCHEMBL4306319 0.76 LTB4R (0.98) LTB4RLTB4R2
SCHEMBL9075395 0.76 LTB4R (1.00) LTB4RLTB4R2
SCHEMBL6802759 0.76 LTB4R (0.52) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6797723-B1 Heterocycle substituted diphenyl leukotriene antagonists ELI LILLY AND COMPANY 2004-09-28 US disclosed