SCHEMBL7404661

SCHEMBL7404661

CC(C)c1cc(OCCCCCC(=O)OCc2ccccc2)cc2c1C(=O)N(C(Oc1cc(C(F)(F)F)n[nH]1)c1ccccc1)S2(=O)=O

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ELANE P08246 15/20 0.33
TPSAB1 Q15661 2/20 0.31
TPSD1 Q9BZJ3 2/20 0.31
TPSG1 Q9NRR2 2/20 0.31
KDM5A P29375 1/20 0.30
PLG P00747 1/20 0.30

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
SCHEMBL7405849 0.97 ELANE (0.33) ELANEKDM5A
SCHEMBL8615680 0.91 ELANE (0.34) ELANE
SCHEMBL8609833 0.89 ELANE (0.35) ELANE
SCHEMBL8615757 0.89 ELANE (0.33) ELANE
SCHEMBL7408952 0.87 ELANE (0.33) ELANE
SCHEMBL8613233 0.85 ELANE (0.34) ELANE
SCHEMBL7405873 0.83 ELANE (0.35) ELANE
SCHEMBL8614061 0.82 ELANE (0.42) ELANE
SCHEMBL7603337 0.81 KDM5A (0.32) KDM5A
SCHEMBL7401912 0.81 ELANE (0.37) ELANE

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5750550-A RESPIRATORY SYSTEM DISORDERS SANOFI (FR) 1998-05-12 US disclosed
WO-1997010243-A1 2-(PYRAZOL-5-YL-OXYMETHYL)-1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI (US) 1997-03-20 WO disclosed