SCHEMBL8650767

SCHEMBL8650767

CCCc1c(OCCCOc2cc(O)c(OC)cc2CC)ccc2c1OC(OC(=O)O)CC2

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 20/20 0.79
LTB4R2 Q9NPC1 9/20 0.68

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
SCHEMBL8653976 0.93 LTB4R (0.79) LTB4RLTB4R2
SCHEMBL8650764 0.88 LTB4R (1.00) LTB4RLTB4R2
SCHEMBL11009012 0.81 LTB4R (0.78) LTB4RLTB4R2
SCHEMBL6370354 0.81 LTB4R (1.00) LTB4RLTB4R2
SCHEMBL9821883 0.81 LTB4R (0.64) LTB4RLTB4R2
SCHEMBL9198118 0.79 LTB4R (0.79) LTB4RLTB4R2
SCHEMBL9821815 0.79 LTB4R (0.74) LTB4RLTB4R2
SCHEMBL9821682 0.78 LTB4R (0.71) LTB4RLTB4R2
SCHEMBL7625803 0.78 LTB4R (1.00) LTB4RLTB4R2
SCHEMBL9821767 0.78 LTB4R (0.67) 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
EP-0579412-B1 1,2,4-trioxygenated benzene derivatives useful as a leukotriene antagonists LILLY CO ELI (US) 1998-10-07 EP claimed