SCHEMBL7603337

SCHEMBL7603337

CC(C)c1cc(OCCCCCC(=O)OCc2ccccc2)cc2sn(C(Oc3cc(C(F)(F)F)n[nH]3)c3ccccc3)c(=O)c12

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.32
EGFR P00533 10/20 0.32
PTGS1 P23219 3/20 0.31
PTGS2 P35354 3/20 0.31

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 0.81 ELANE (0.33) KDM5A
SCHEMBL7405849 0.78 ELANE (0.33) KDM5A
SCHEMBL7410357 0.72 PDK2 (0.32)
SCHEMBL8615680 0.72 ELANE (0.34)
SCHEMBL8615757 0.70 ELANE (0.33)
SCHEMBL8609833 0.69 ELANE (0.35)
SCHEMBL7401912 0.61 ELANE (0.37)
SCHEMBL11048771 0.58 ALDH1A1 (0.46)
SCHEMBL19897249 0.58 ALDH1A1 (0.46)
SCHEMBL11049073 0.58 ALDH1A1 (0.46)

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