SCHEMBL7460101

SCHEMBL7460101

COc1ccc(OC(C)C(=O)O)c(-c2nsc3ccc(-n4c(=O)cc(C(F)(F)F)n(C)c4=O)cc23)c1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARG P37231 13/20 0.34
PPARA Q07869 4/20 0.33
PPARD Q03181 1/20 0.33
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
TP53 P04637 1/20 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
SCHEMBL7461575 0.93 POLB (0.32) LMNAPOLBTP53
SCHEMBL7452375 0.91 PPARG (0.33) PPARGPPARAPPARD
SCHEMBL7457391 0.91 PPARG (0.33) PPARGPPARAPPARD
SCHEMBL7458078 0.89 PDK2 (0.33) PPARGPPARAPPARD
SCHEMBL7452381 0.88 PPARD (0.36) PPARGPPARAPPARD
SCHEMBL7457256 0.88 PPARD (0.33) PPARGPPARAPPARD
SCHEMBL7462597 0.87 PPARD (0.36) PPARGPPARAPPARD
SCHEMBL7462592 0.86 FFAR4 (0.33) PPARGPPARAPPARD
SCHEMBL7458110 0.85 PABPC1 (0.31) POLB
SCHEMBL7463075 0.84 TP53 (0.32) TP53

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-0908457-B1 3-(1,2-benzisothiazol- and isoxazol-5-Y1)-2,4(1H,3H)-pyrimidinedione or thione and 3-(1,2-benzisothiazol- and isoxazol-5-y1)-4(3H)-pyrimidinone or thione herbicidal agents BASF AG (DE) 2002-11-13 EP claimed