SCHEMBL7020175

SCHEMBL7020175

O=C(O)CCc1nc(CSc2c(Cl)cccc2Cl)ccc1OCCc1ccc(F)cc1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 10/20 0.68
PPARG P37231 3/20 0.45
PPARA Q07869 3/20 0.45
FFAR4 Q5NUL3 2/20 0.38
FFAR1 O14842 3/20 0.37
MAPT P10636 1/20 0.36
PPARD Q03181 2/20 0.36
TP53 P04637 1/20 0.36
MDM2 Q00987 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
SCHEMBL7026941 0.95 LTB4R (0.63) LTB4RPPARGPPARA
SCHEMBL8075660 0.93 LTB4R (0.67) LTB4RPPARGFFAR4FFAR1
SCHEMBL7023198 0.91 LTB4R (0.64) LTB4RPPARGPPARAMAPT
SCHEMBL7024326 0.90 LTB4R (0.70) LTB4RPPARGFFAR1
SCHEMBL7024546 0.86 LTB4R (0.59) LTB4RPPARGPPARA
SCHEMBL7026815 0.84 LTB4R (0.71) LTB4R
SCHEMBL7020038 0.81 LTB4R (1.00) LTB4R
SCHEMBL7020046 0.81 LTB4R (1.00) LTB4R
SCHEMBL7022306 0.81 LTB4R (0.65) LTB4R
SCHEMBL8076049 0.78 LTB4R (0.46) LTB4RPPARGPPARAFFAR4FFAR1

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 13 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-0812194-A4 METHOD FOR TREATING ATOPIC DERMATITIS AND CONTACT DERMATITIS SMITHKLINE BEECHAM CORP (US) 1998-03-11 EP disclosed
EP-0812194-A1 METHOD FOR TREATING ATOPIC DERMATITIS AND CONTACT DERMATITIS SMITHKLINE BEECHAM CORPORATION (US) 1997-12-17 EP disclosed
US-5643914-A Pharmaceutical pyridine compounds SMITHKLINE BEECHAM CORPORATION (US) 1997-07-01 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-1996026725-A1 METHOD FOR TREATING ATOPIC DERMATITIS AND CONTACT DERMATITIS SMITHKLINE BEECHAM CORPORATION (US) 1996-09-06 WO disclosed
EP-0649412-A4 PHARMACEUTICAL PYRIDINE COMPOUNDS. SMITHKLINE BEECHAM CORP (US) 1995-07-05 EP disclosed
WO-1995015950-A1 COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1995-06-15 WO disclosed
EP-0649412-A1 PHARMACEUTICAL PYRIDINE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1995-04-26 EP disclosed
WO-1994000437-A1 PHARMACEUTICAL PYRIDINE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1994-01-06 WO disclosed