SCHEMBL7024326

SCHEMBL7024326

COc1ccc(CCOc2ccc(CSc3c(Cl)cccc3Cl)nc2CCC(=O)O)cc1

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 18/20 0.70
PPARG P37231 1/20 0.41
FFAR1 O14842 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
SCHEMBL7026815 0.95 LTB4R (0.71) LTB4R
SCHEMBL7022306 0.91 LTB4R (0.65) LTB4R
SCHEMBL8075660 0.91 LTB4R (0.67) LTB4RPPARGFFAR1
SCHEMBL7020175 0.90 LTB4R (0.68) LTB4RPPARGFFAR1
SCHEMBL8866667 0.87 LTB4R (0.67) LTB4R
SCHEMBL8866655 0.87 LTB4R (0.67) LTB4R
SCHEMBL7027342 0.86 LTB4R (0.66) LTB4R
SCHEMBL7026941 0.85 LTB4R (0.63) LTB4RPPARG
SCHEMBL7020686 0.82 LTB4R (1.00) LTB4R
SCHEMBL7020679 0.82 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 12 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
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