SCHEMBL8075663

SCHEMBL8075663

CCc1ccccc1Oc1ccc(CSc2c(Cl)cccc2Cl)nc1CCC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 10/20 0.46
CXCL8 P10145 1/20 0.40
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
CHRM1 P11229 1/20 0.37
DHFR P00374 1/20 0.36
PTGER1 P34995 1/20 0.36
PTGER4 P35408 1/20 0.36
PTGER3 P43115 1/20 0.36
PTGER2 P43116 1/20 0.36
POLB P06746 1/20 0.35
DUSP3 P51452 1/20 0.35
PTPN5 P54829 1/20 0.35
CASP6 P55212 1/20 0.35
PTPN11 Q06124 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
NOD2 Q9HC29 1/20 0.35
USP5 P45974 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
USP16 Q9Y5T5 2/20 0.35

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
SCHEMBL8076051 0.83 CXCL8 (0.40) LTB4RCXCL8FFAR1FFAR4CHRM1
SCHEMBL8078846 0.81 CXCL8 (0.39) LTB4RCXCL8FFAR1FFAR4CHRM1
SCHEMBL8075660 0.80 LTB4R (0.67) LTB4RFFAR1FFAR4
SCHEMBL7021927 0.80 LTB4R (0.66) LTB4R
SCHEMBL7020175 0.78 LTB4R (0.68) LTB4RFFAR1FFAR4
SCHEMBL7022921 0.77 LTB4R (0.55) LTB4RCXCL8
SCHEMBL7024326 0.76 LTB4R (0.70) LTB4RFFAR1
SCHEMBL7026941 0.76 LTB4R (0.63) LTB4R
SCHEMBL7030563 0.75 LTB4R (0.54) LTB4R
SCHEMBL7026815 0.74 LTB4R (0.71) 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