SCHEMBL8075772

SCHEMBL8075772

CCCCCCCCCCCCOc1ccc(COc2cccc(C(=O)O)c2)nc1C=CC(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 17/20 1.00
CYSLTR2 Q9NS75 1/20 0.53
CYSLTR1 Q9Y271 1/20 0.53

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
SCHEMBL27351072 1.00 LTB4R (1.00) LTB4RCYSLTR2CYSLTR1
SCHEMBL8075759 0.86 LTB4R (0.78) LTB4R
SCHEMBL27356519 0.86 LTB4R (0.76) LTB4R
SCHEMBL8862137 0.85 LTB4R (0.74) LTB4RCYSLTR2CYSLTR1
SCHEMBL8076048 0.85 LTB4R (0.75) LTB4R
SCHEMBL8862024 0.84 LTB4R (0.71) LTB4R
SCHEMBL8862013 0.84 LTB4R (0.71) LTB4R
SCHEMBL9333893 0.83 LTB4R (1.00) LTB4R
SCHEMBL9490956 0.83 LTB4R (1.00) LTB4R
SCHEMBL9494461 0.83 LTB4R (1.00) LTB4R

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5631262-A Pyridine compounds for treating leukotriene-related diseases SMITHKLINE BEECHAM CORPORATION (US) 1997-05-20 US claimed
EP-0812194-B1 Use of substituted pyridine compounds for treating atopic dermatitis and contact dermatitis SMITHKLINE BEECHAM CORP (US) 2000-08-16 EP disclosed
US-5656636-A TREATING PSORIASIS SMITHKLINE BEECHAM CORPORATION (US) 1997-08-12 US disclosed
US-5633258-A Pyridine compounds for treating leukotriene-related diseases SMITHKLINE BEECHAM CORPORATION (US) 1997-05-27 US disclosed
US-5631262-A Pyridine compounds for treating leukotriene-related diseases SMITHKLINE BEECHAM CORPORATION (US) 1997-05-20 US disclosed