SCHEMBL8889702

SCHEMBL8889702

Nc1cccc(CC2COc3ccc(OCc4ccc5ccc(Cl)cc5n4)cc3C2O)c1

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 11/20 0.63
CYSLTR1 Q9Y271 2/20 0.49
CYSLTR2 Q9NS75 1/20 0.49
LTB4R2 Q9NPC1 2/20 0.41

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
SCHEMBL8888617 0.91 LTB4R (0.76) LTB4RCYSLTR1CYSLTR2LTB4R2
SCHEMBL8889256 0.86 LTB4R (0.62) LTB4RCYSLTR1CYSLTR2LTB4R2
SCHEMBL9661127 0.86 LTB4R (0.58) LTB4RCYSLTR1CYSLTR2LTB4R2
SCHEMBL8889659 0.84 LTB4R (0.44) LTB4RCYSLTR1CYSLTR2
SCHEMBL9015101 0.84 LTB4R (0.52) LTB4RCYSLTR1CYSLTR2
SCHEMBL8041597 0.84 LTB4R (0.52) LTB4RCYSLTR1CYSLTR2
SCHEMBL9015098 0.84 LTB4R (0.52) LTB4RCYSLTR1CYSLTR2
SCHEMBL8889585 0.84 LTB4R (0.55) LTB4RCYSLTR1CYSLTR2LTB4R2
SCHEMBL8889593 0.84 LTB4R (0.55) LTB4RCYSLTR1CYSLTR2LTB4R2
SCHEMBL8891775 0.82 LTB4R (0.41) LTB4RCYSLTR1CYSLTR2

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-5641789-A INHIBITORS OF LEUKOTRIENES AND/OR BLOCKERS OF LEUKOTRIENE RECEPTORS; USEFUL IN PREVENTION OR TREATMENT OF ASTHMA, ARTHRITIS, PSORIASIS, ULCERS, MYOCARDIAL INFARCTION PFIZER INC. (US) 1997-06-24 US disclosed
EP-0665842-A1 SULFONAMIDE DERIVATIVES OF BENZENEFUSED HYDROXY SUBSTITUTED CYCLOALKYL AND HETEROCYCLIC RING COMPOUNDS PFIZER INC. (US) 1995-08-09 EP disclosed
WO-1994008996-A1 SULFONAMIDE DERIVATIVES OF BENZENEFUSED HYDROXY SUBSTITUTED CYCLOALKYL AND HETEROCYCLIC RING COMPOUNDS PFIZER INC. (US) 1994-04-28 WO disclosed