SCHEMBL8829397

SCHEMBL8829397

O=C(NS(=O)(=O)c1ccccc1)c1cccc(C[C@H]2CCOc3ccc(OCc4nc5cc(F)ccc5s4)cc3[C@H]2O)c1

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 8/20 0.69
CYSLTR2 Q9NS75 7/20 0.69
PTGER4 P35408 2/20 0.52
ALOX5 P09917 3/20 0.37
HDAC6 Q9UBN7 1/20 0.37
LTB4R Q15722 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
SCHEMBL8829406 1.00 CYSLTR1 (0.69) CYSLTR1CYSLTR2PTGER4ALOX5HDAC6
SCHEMBL8829393 1.00 CYSLTR1 (0.69) CYSLTR1CYSLTR2PTGER4ALOX5HDAC6
SCHEMBL8829386 0.94 CYSLTR1 (0.79) CYSLTR1CYSLTR2PTGER4LTB4R
SCHEMBL8829342 0.94 CYSLTR1 (0.79) CYSLTR1CYSLTR2PTGER4LTB4R
SCHEMBL8829347 0.94 CYSLTR1 (0.79) CYSLTR1CYSLTR2PTGER4LTB4R
SCHEMBL8829472 0.92 CYSLTR1 (0.69) CYSLTR1CYSLTR2PTGER4ALOX5LTB4R
SCHEMBL8829469 0.92 CYSLTR1 (0.69) CYSLTR1CYSLTR2PTGER4ALOX5LTB4R
SCHEMBL8829475 0.92 CYSLTR1 (0.69) CYSLTR1CYSLTR2PTGER4ALOX5LTB4R
SCHEMBL8829460 0.88 CYSLTR1 (0.61) CYSLTR1CYSLTR2PTGER4ALOX5HDAC6
SCHEMBL8829459 0.88 CYSLTR1 (0.61) CYSLTR1CYSLTR2PTGER4ALOX5HDAC6

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
EP-0404440-B1 Substituted sulfonamides and related compounds in the treatment of asthma, arthritis, and related diseases PFIZER (US) 1997-11-05 EP disclosed