SCHEMBL8862080

SCHEMBL8862080

COc1ccc(CCCCCCCCOc2ccc(CO)nc2CCCC(=O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 19/20 0.61
CYSLTR2 Q9NS75 1/20 0.45
CYSLTR1 Q9Y271 1/20 0.45

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
SCHEMBL9545804 0.83 LTB4R (0.70) LTB4RCYSLTR2CYSLTR1
SCHEMBL9545799 0.83 LTB4R (0.70) LTB4RCYSLTR2CYSLTR1
SCHEMBL8699763 0.80 LTB4R (0.61) LTB4R
SCHEMBL8699765 0.80 LTB4R (0.61) LTB4R
SCHEMBL8862059 0.79 LTB4R (0.82) LTB4R
SCHEMBL8080164 0.79 LTB4R (0.84) LTB4R
SCHEMBL8862108 0.79 LTB4R (0.70) LTB4R
SCHEMBL9545824 0.79 LTB4R (0.81) LTB4R
SCHEMBL8696845 0.79 LTB4R (0.47) LTB4R
SCHEMBL8695142 0.79 S1PR4 (0.48) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0604529-A1 PYRIDINE COMPOUNDS FOR TREATING LEUKOTRIENE-RELATED DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1994-07-06 EP disclosed
WO-1993006085-A1 PYRIDINE COMPOUNDS FOR TREATING LEUKOTRIENE-RELATED DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1993-04-01 WO disclosed