SCHEMBL8065558

SCHEMBL8065558

CCCCCCCCCCCCOc1ccc(SC(O)c2ccccc2C(=O)O)nc1C=CC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 16/20 0.58
PTPN11 Q06124 1/20 0.42
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
CYSLTR2 Q9NS75 2/20 0.40
CYSLTR1 Q9Y271 2/20 0.40

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
SCHEMBL8862052 0.83 LTB4R (0.60) LTB4RPTPN11
SCHEMBL8065586 0.83 LTB4R (0.71) LTB4RPTPN11
SCHEMBL8862079 0.82 LTB4R (0.41) LTB4RPTPN11CNR1CNR2CYSLTR2
SCHEMBL9490960 0.76 LTB4R (0.70) LTB4RPTPN11
SCHEMBL8862008 0.74 LTB4R (0.65) LTB4R
SCHEMBL8862075 0.74 LTB4R (0.54) LTB4R
SCHEMBL9367967 0.73 LTB4R (0.64) LTB4R
SCHEMBL8430669 0.73 LTB4R (0.58) LTB4RPTPN11
SCHEMBL8430672 0.73 LTB4R (0.58) LTB4RPTPN11
SCHEMBL8862105 0.73 LTB4R (0.65) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5656636-A TREATING PSORIASIS SMITHKLINE BEECHAM CORPORATION (US) 1997-08-12 US 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
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-5656636-A TREATING PSORIASIS SMITHKLINE BEECHAM CORPORATION (US) 1997-08-12 US disclosed
US-5633258-A Pyridine compounds for treating leukotriene-related diseases SMITHKLINE BEECHAM CORPORATION (US) 1997-05-27 US disclosed
US-5631262-A Pyridine compounds for treating leukotriene-related diseases SMITHKLINE BEECHAM CORPORATION (US) 1997-05-20 US disclosed
WO-1996026725-A1 METHOD FOR TREATING ATOPIC DERMATITIS AND CONTACT DERMATITIS SMITHKLINE BEECHAM CORPORATION (US) 1996-09-06 WO disclosed