SCHEMBL7399082

SCHEMBL7399082

CC(C)c1cc(OCCCC(=O)O)cc2c1C(=O)N(C(Oc1cc(C(F)(F)F)n[nH]1)c1ccccc1Cl)S2(=O)=O

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ELANE P08246 16/20 0.37
PDK2 Q15119 3/20 0.34
FABP7 O15540 1/20 0.32
FABP3 P05413 1/20 0.32
FABP5 Q01469 1/20 0.32

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
SCHEMBL8609833 0.92 ELANE (0.35) ELANEPDK2
SCHEMBL8615680 0.89 ELANE (0.34) ELANEPDK2
SCHEMBL7405849 0.83 ELANE (0.33) ELANE
SCHEMBL8613233 0.82 ELANE (0.34) ELANE
SCHEMBL7404661 0.81 ELANE (0.33) ELANE
SCHEMBL7405873 0.80 ELANE (0.35) ELANE
SCHEMBL8614061 0.79 ELANE (0.42) ELANE
SCHEMBL8615757 0.78 ELANE (0.33) ELANE
SCHEMBL7408952 0.77 ELANE (0.33) ELANE
SCHEMBL7401912 0.76 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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