SCHEMBL8065566

SCHEMBL8065566

COc1ccc(CCCCCCCCOc2ccc(SC(O)Cc3ccc(C(=O)O)cc3)nc2C=CC(=O)O)cc1

nearest known ligand 0.68

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 20/20 0.68

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
SCHEMBL8078831 0.92 LTB4R (0.69) LTB4R
SCHEMBL8075770 0.92 LTB4R (0.58) LTB4R
SCHEMBL8862071 0.91 LTB4R (0.69) LTB4R
SCHEMBL8434447 0.88 LTB4R (0.65) LTB4R
SCHEMBL8430531 0.87 LTB4R (0.65) LTB4R
SCHEMBL8862012 0.85 LTB4R (0.74) LTB4R
SCHEMBL8862095 0.85 LTB4R (0.49) LTB4R
SCHEMBL8862008 0.84 LTB4R (0.65) LTB4R
SCHEMBL8432902 0.82 LTB4R (0.70) LTB4R
SCHEMBL8862031 0.82 LTB4R (0.46) 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