SCHEMBL7026941

SCHEMBL7026941

O=C(O)CCc1nc(CSc2c(Cl)cccc2Cl)ccc1OCCCCc1ccc(F)cc1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 18/20 0.63
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
CYSLTR2 Q9NS75 1/20 0.39
CYSLTR1 Q9Y271 1/20 0.39

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
SCHEMBL7020175 0.95 LTB4R (0.68) LTB4RPPARGPPARA
SCHEMBL7024546 0.91 LTB4R (0.59) LTB4RPPARGPPARA
SCHEMBL7026815 0.89 LTB4R (0.71) LTB4R
SCHEMBL8075660 0.89 LTB4R (0.67) LTB4RPPARG
SCHEMBL7023198 0.86 LTB4R (0.64) LTB4RPPARGPPARA
SCHEMBL7024326 0.85 LTB4R (0.70) LTB4RPPARG
SCHEMBL7022317 0.82 LTB4R (0.91) LTB4R
SCHEMBL7022311 0.82 LTB4R (0.91) LTB4R
SCHEMBL7027342 0.81 LTB4R (0.66) LTB4R
SCHEMBL7019535 0.79 LTB4R (0.77) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0649412-B1 PHARMACEUTICAL PYRIDINE COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2003-01-15 EP disclosed
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-5990314-A LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-11-23 US disclosed
EP-0733044-A4 COMPOUNDS SMITHKLINE BEECHAM CORP (US) 1997-03-05 EP disclosed
EP-0733044-A1 COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1996-09-25 EP disclosed
WO-1995015950-A1 COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1995-06-15 WO disclosed