SCHEMBL7404663

SCHEMBL7404663

CC(C)c1cc(OCCCCCC(=O)OCc2ccccc2)cc2c1C(=O)N(C(=O)c1[nH]nc(C(F)(F)F)c1-c1ccccc1)S2(=O)=O

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ELANE P08246 17/20 0.35
TPSAB1 Q15661 1/20 0.32
TPSD1 Q9BZJ3 1/20 0.32
TPSG1 Q9NRR2 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
SCHEMBL7404661 0.78 ELANE (0.33) ELANETPSAB1TPSD1TPSG1
SCHEMBL7407090 0.75 CARM1 (0.35) ELANE
SCHEMBL7405849 0.75 ELANE (0.33) ELANE
SCHEMBL8614493 0.74 ELANE (0.42) ELANETPSAB1TPSD1TPSG1
SCHEMBL8614366 0.71 ELANE (0.43) ELANE
SCHEMBL7448574 0.69 CARM1 (0.38) ELANE
SCHEMBL7407088 0.68 ELANE (0.41) ELANE
SCHEMBL7280450 0.68 ELANE (0.69) ELANE
SCHEMBL7008337 0.68 ELANE (0.50) ELANE
SCHEMBL8615757 0.66 ELANE (0.33) 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