SCHEMBL8075725

SCHEMBL8075725

COc1ccc(CCCCOc2ccc(CSc3ccccc3Cl)nc2C=CC(=O)O)cc1.[LiH]

nearest known ligand 0.82

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 20/20 0.82

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
SCHEMBL8862114 0.99 LTB4R (0.83) LTB4R
SCHEMBL8862112 0.99 LTB4R (0.83) LTB4R
Lithium Ion SCHEMBL8075723 0.91 LTB4R (0.70) LTB4R
Lithium Ion SCHEMBL8075719 0.91 LTB4R (0.70) LTB4R
SCHEMBL8731942 0.91 LTB4R (0.82) LTB4R
SCHEMBL8731936 0.91 LTB4R (0.82) LTB4R
SCHEMBL7019099 0.90 LTB4R (1.00) LTB4R
SCHEMBL7019094 0.90 LTB4R (1.00) LTB4R
SCHEMBL8075718 0.90 LTB4R (0.81) LTB4R
SCHEMBL8075721 0.90 LTB4R (0.81) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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