SCHEMBL8898722

SCHEMBL8898722

O=S(=O)(Nc1cccc(C[C@H]2CCc3ccc(OCc4ccc5ccc(Cl)cc5n4)cc3[C@H]2O)c1)C(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 5/20 0.51
CYSLTR2 Q9NS75 4/20 0.51
LTB4R Q15722 4/20 0.40
ALOX5AP P20292 2/20 0.37

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
SCHEMBL8898717 1.00 CYSLTR1 (0.51) CYSLTR1CYSLTR2LTB4RALOX5AP
SCHEMBL8898787 0.89 CYSLTR1 (0.53) CYSLTR1CYSLTR2LTB4R
SCHEMBL8898782 0.89 CYSLTR1 (0.53) CYSLTR1CYSLTR2LTB4R
SCHEMBL8889593 0.87 LTB4R (0.55) CYSLTR1CYSLTR2LTB4R
SCHEMBL8889585 0.87 LTB4R (0.55) CYSLTR1CYSLTR2LTB4R
SCHEMBL8898714 0.85 CYSLTR1 (0.53) CYSLTR1CYSLTR2ALOX5AP
SCHEMBL8892969 0.84 CYSLTR2 (0.45) CYSLTR1CYSLTR2LTB4R
SCHEMBL8892971 0.84 CYSLTR2 (0.45) CYSLTR1CYSLTR2LTB4R
SCHEMBL8889659 0.83 LTB4R (0.44) CYSLTR1CYSLTR2LTB4RALOX5AP
SCHEMBL8897252 0.80 CYSLTR1 (0.59) CYSLTR1CYSLTR2LTB4R

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