SCHEMBL8898032

SCHEMBL8898032

COc1ccc(NS(=O)(=O)C(F)(F)F)cc1CC1COc2ccc(OCc3ccc4ccc(Cl)cc4n3)cc2C1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 6/20 0.60
LTB4R Q15722 4/20 0.46
CYSLTR2 Q9NS75 3/20 0.43

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
SCHEMBL8890632 1.00 CYSLTR1 (0.60) CYSLTR1LTB4RCYSLTR2
SCHEMBL8899931 0.92 CYSLTR1 (0.49) CYSLTR1LTB4RCYSLTR2
SCHEMBL8899936 0.92 CYSLTR1 (0.49) CYSLTR1LTB4RCYSLTR2
SCHEMBL8889216 0.91 CYSLTR1 (0.49) CYSLTR1LTB4RCYSLTR2
SCHEMBL8889212 0.91 CYSLTR1 (0.49) CYSLTR1LTB4RCYSLTR2
SCHEMBL8889585 0.86 LTB4R (0.55) CYSLTR1LTB4RCYSLTR2
SCHEMBL8889593 0.86 LTB4R (0.55) CYSLTR1LTB4RCYSLTR2
SCHEMBL8041597 0.84 LTB4R (0.52) CYSLTR1LTB4RCYSLTR2
SCHEMBL9015101 0.84 LTB4R (0.52) CYSLTR1LTB4RCYSLTR2
SCHEMBL9015098 0.84 LTB4R (0.52) CYSLTR1LTB4RCYSLTR2

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 1 patent. 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