SCHEMBL8825342

SCHEMBL8825342

COc1ccc(C=CCCCCOc2ccc(C(=O)CCCC(=O)O)nc2CCC(=O)O)cc1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 9/20 0.63
LTB4R2 Q9NPC1 3/20 0.63
DRD3 P35462 1/20 0.55
PPARA Q07869 4/20 0.45
PPARG P37231 2/20 0.45
FFAR1 O14842 1/20 0.45
PPARD Q03181 1/20 0.45
PDE4B Q07343 1/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ALB P02768 1/20 0.37
TLR7 Q9NYK1 1/20 0.36
S1PR1 P21453 2/20 0.36
CYSLTR2 Q9NS75 1/20 0.36
CYSLTR1 Q9Y271 1/20 0.36
S1PR3 Q99500 1/20 0.36

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
SCHEMBL8825332 1.00 LTB4R (0.63) LTB4RLTB4R2DRD3PPARAPPARG
SCHEMBL8825334 0.92 LTB4R (0.63) LTB4RLTB4R2DRD3PPARAPPARG
SCHEMBL8825339 0.92 LTB4R (0.63) LTB4RLTB4R2DRD3PPARAPPARG
SCHEMBL8825311 0.91 LTB4R (0.62) LTB4RLTB4R2DRD3PPARAPPARG
SCHEMBL8825315 0.91 LTB4R (0.62) LTB4RLTB4R2DRD3PPARAPPARG
SCHEMBL8825352 0.90 LTB4R (0.50) LTB4RLTB4R2DRD3PPARAPPARG
SCHEMBL8825357 0.90 LTB4R (0.50) LTB4RLTB4R2DRD3PPARAPPARG
SCHEMBL8825307 0.86 LTB4R (0.67) LTB4RLTB4R2DRD3PPARAPPARG
SCHEMBL8825303 0.86 LTB4R (0.67) LTB4RLTB4R2DRD3PPARAPPARG
SCHEMBL8825558 0.86 LTB4R (0.63) LTB4RLTB4R2DRD3PPARAPPARG

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-5624943-A Pyridine compounds which are useful as leukotriene-B4 -antagonists SCHERING AKTIENGESELLSCHAFT (DE) 1997-04-29 US disclosed