SCHEMBL8075660

SCHEMBL8075660

O=C(O)CCc1nc(CSc2c(Cl)cccc2Cl)ccc1OCCc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 13/20 0.67
FFAR1 O14842 3/20 0.42
ALOX5 P09917 1/20 0.39
PPARG P37231 1/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
MAPK14 Q16539 1/20 0.37

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 0.93 LTB4R (0.68) LTB4RFFAR1PPARGFFAR4
SCHEMBL7024326 0.91 LTB4R (0.70) LTB4RFFAR1PPARG
SCHEMBL7026941 0.89 LTB4R (0.63) LTB4RPPARG
SCHEMBL7026815 0.85 LTB4R (0.71) LTB4R
SCHEMBL7023198 0.84 LTB4R (0.64) LTB4RPPARG
SCHEMBL8076049 0.83 LTB4R (0.46) LTB4RFFAR1PPARGCNR1CNR2
SCHEMBL6756074 0.82 LTB4R (0.53) LTB4R
SCHEMBL7022306 0.81 LTB4R (0.65) LTB4R
SCHEMBL6760741 0.81 LTB4R (0.52) LTB4R
Ticolubant SCHEMBL1230392 0.80 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0733044-A4 COMPOUNDS SMITHKLINE BEECHAM CORP (US) 1997-03-05 EP claimed
EP-0733044-A1 COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1996-09-25 EP claimed
WO-1995015950-A1 COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1995-06-15 WO 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-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
WO-1995015950-A1 COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1995-06-15 WO disclosed