SCHEMBL8891753

SCHEMBL8891753

COc1ccc(NS(=O)(=O)C(F)(F)F)cc1CC1COc2ccc(OCc3nc(C4CCC4)cs3)cc2C1O

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 6/20 0.49
CYSLTR2 Q9NS75 3/20 0.42
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
LTB4R Q15722 2/20 0.34
USP2 O75604 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL8891759 1.00 CYSLTR1 (0.49) CYSLTR1CYSLTR2IDO1TDO2LTB4R
SCHEMBL8888590 0.87 CYSLTR1 (0.53) CYSLTR1CYSLTR2LTB4R
SCHEMBL8888586 0.87 CYSLTR1 (0.53) CYSLTR1CYSLTR2LTB4R
SCHEMBL8890111 0.87 CYSLTR1 (0.53) CYSLTR1CYSLTR2LTB4R
SCHEMBL8889672 0.82 CYSLTR1 (0.70) CYSLTR1CYSLTR2LTB4R
SCHEMBL8889678 0.82 CYSLTR1 (0.70) CYSLTR1CYSLTR2LTB4R
SCHEMBL8890632 0.79 CYSLTR1 (0.60) CYSLTR1CYSLTR2LTB4R
SCHEMBL8898032 0.79 CYSLTR1 (0.60) CYSLTR1CYSLTR2LTB4R
SCHEMBL8889214 0.75 CYSLTR1 (0.54) CYSLTR1CYSLTR2LTB4R
SCHEMBL8899267 0.75 CYSLTR1 (0.49) 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