SCHEMBL8825091

SCHEMBL8825091

COc1ccc(/C=C/CCCCOc2ccc(CCc3ccc(C(=O)O)cc3)nc2CCC(=O)O)cc1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 18/20 0.60
LTB4R2 Q9NPC1 3/20 0.60
DRD3 P35462 1/20 0.60
TLR7 Q9NYK1 1/20 0.41

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
SCHEMBL8825095 1.00 LTB4R (0.60) LTB4RLTB4R2DRD3TLR7
SCHEMBL8825650 0.92 LTB4R (0.57) LTB4RLTB4R2DRD3TLR7
SCHEMBL8825656 0.92 LTB4R (0.57) LTB4RLTB4R2DRD3TLR7
SCHEMBL8825303 0.88 LTB4R (0.67) LTB4RLTB4R2DRD3
SCHEMBL8825307 0.88 LTB4R (0.67) LTB4RLTB4R2DRD3
SCHEMBL8825421 0.87 LTB4R (0.46) LTB4RLTB4R2DRD3
SCHEMBL8825422 0.87 LTB4R (0.46) LTB4RLTB4R2DRD3
SCHEMBL8825426 0.85 LTB4R (0.58) LTB4RLTB4R2DRD3
SCHEMBL8825429 0.85 LTB4R (0.58) LTB4RLTB4R2DRD3
SCHEMBL8825642 0.85 LTB4R (0.47) LTB4RLTB4R2DRD3

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 4 patents. 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 claimed
EP-0651745-A1 NEW PYRIDINE DERIVATIVES AS LEUKCOTRIENE B 4? ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 1995-05-10 EP claimed
WO-1994002464-A1 NEW PYRIDINE DERIVATIVES AS LEUKCOTRIENE B4 ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 1994-02-03 WO claimed
US-5624943-A Pyridine compounds which are useful as leukotriene-B4 -antagonists SCHERING AKTIENGESELLSCHAFT (DE) 1997-04-29 US disclosed