SCHEMBL8464670

SCHEMBL8464670

COC(=O)c1cccc(O[C@H]2CCOc3ccc(OCc4ccc5ccccc5n4)cc3[C@H]2O)c1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 3/20 0.64
GPBAR1 Q8TDU6 1/20 0.51
LTB4R Q15722 4/20 0.51
ALOX5AP P20292 7/20 0.47
CYSLTR2 Q9NS75 1/20 0.46

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
SCHEMBL8464044 0.92 CYSLTR1 (0.62) CYSLTR1GPBAR1LTB4RCYSLTR2
SCHEMBL10596993 0.92 CYSLTR1 (0.62) CYSLTR1GPBAR1LTB4RCYSLTR2
SCHEMBL8465646 0.92 CYSLTR1 (0.62) CYSLTR1GPBAR1LTB4RCYSLTR2
SCHEMBL8463992 0.87 LTB4R (0.59) CYSLTR1GPBAR1LTB4RCYSLTR2
SCHEMBL8462779 0.87 LTB4R (0.59) CYSLTR1GPBAR1LTB4RCYSLTR2
SCHEMBL8348356 0.86 CYSLTR1 (0.44) CYSLTR1LTB4RALOX5AP
SCHEMBL8348350 0.86 CYSLTR1 (0.44) CYSLTR1LTB4RALOX5AP
SCHEMBL8348346 0.86 CYSLTR1 (0.44) CYSLTR1LTB4RALOX5AP
SCHEMBL9869872 0.83 LTB4R (0.67) CYSLTR1GPBAR1LTB4RALOX5APCYSLTR2
SCHEMBL8465813 0.83 LTB4R (0.67) CYSLTR1GPBAR1LTB4RALOX5APCYSLTR2

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
US-5998451-A LIPOXYGENASE INHIBITORS PFIZER INC (US) 1999-12-07 US disclosed
US-5059609-A Lipoxygenase inhibitors; leukotriene receptor blockers; psoriasis; antiulcer agents and myocardial infarctions PFIZER INC. (US) 1991-10-22 US disclosed
EP-0313295-A2 Substituted tetralins, chromans and related compounds in the treatment of asthma, arthritis and related diseases PFIZER INC. (US) 1989-04-26 EP disclosed