SCHEMBL9317832

SCHEMBL9317832

C=CCc1c(OCCCOc2ccc3c(c2CCC)OC(C(=O)O)CC3)ccc(C(=O)N2CCCC2I)c1OC

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 20/20 0.65
LTB4R2 Q9NPC1 10/20 0.65

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
SCHEMBL8941740 0.89 LTB4R (0.69) LTB4RLTB4R2
SCHEMBL9821725 0.86 LTB4R (0.87) LTB4RLTB4R2
SCHEMBL8941379 0.85 LTB4R (0.87) LTB4RLTB4R2
SCHEMBL8941350 0.84 LTB4R (0.88) LTB4RLTB4R2
SCHEMBL9375418 0.81 LTB4R (0.70) LTB4RLTB4R2
SCHEMBL9375407 0.81 LTB4R (0.70) LTB4RLTB4R2
Sc-41390 SCHEMBL29369604 0.80 LTB4R (1.00) LTB4RLTB4R2
Sc-41390 SCHEMBL1889110 0.80 LTB4R (1.00) LTB4RLTB4R2
Sc-41390 SCHEMBL29403478 0.80 LTB4R (1.00) LTB4RLTB4R2
SCHEMBL9194416 0.80 LTB4R (0.55) 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-0593478-A1 LEUKOTRIENE B 4? ANTAGONISTS. SEARLE & CO (US) 1994-04-27 EP claimed