SCHEMBL8078846

SCHEMBL8078846

CCc1ccccc1Oc1ccc(C[S+]([O-])c2c(Cl)cccc2Cl)nc1CCC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCL8 P10145 1/20 0.39
HDAC6 Q9UBN7 6/20 0.37
USP5 P45974 2/20 0.37
USP16 Q9Y5T5 2/20 0.37
USP3 Q9Y6I4 2/20 0.37
ISG15 P05161 1/20 0.37
BRAP Q7Z569 1/20 0.37
FFAR1 O14842 2/20 0.36
FFAR4 Q5NUL3 2/20 0.36
CHRM1 P11229 1/20 0.36
LTB4R Q15722 1/20 0.35
DHFR P00374 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PTGER1 P34995 1/20 0.35
PTGER4 P35408 1/20 0.35
PTGER3 P43115 1/20 0.35
PTGER2 P43116 1/20 0.35
POLB P06746 1/20 0.34
DUSP3 P51452 1/20 0.34
PTPN5 P54829 1/20 0.34

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
SCHEMBL8075663 0.81 LTB4R (0.46) CXCL8HDAC6USP5USP16USP3
SCHEMBL8357914 0.81 LTB4R (0.44) FFAR1FFAR4LTB4R
SCHEMBL8080568 0.80 LTB4R (0.44) CXCL8LTB4RPTGER1PTGER4PTGER3
SCHEMBL8076051 0.80 CXCL8 (0.40) CXCL8HDAC6USP5USP16USP3
SCHEMBL11430105 0.63 SLC6A2 (0.66) CXCL8CHRM1L3MBTL1
SCHEMBL11125241 0.63 CXCL8 (0.60) CXCL8FFAR1FFAR4CHRM1PTGER1
SCHEMBL11121640 0.62 CXCL8 (0.56) CXCL8HDAC6USP5USP16USP3
SCHEMBL475213 0.60 L3MBTL1 (0.57) CXCL8L3MBTL1
SCHEMBL22102704 0.60 KDM4E (0.50) FFAR1FFAR4PTGER1PTGER4PTGER3
Ethane SCHEMBL10497410 0.59 FFAR1 (0.56) FFAR1FFAR4PTGER1PTGER4PTGER3

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