SCHEMBL7457256

SCHEMBL7457256

Cc1cc(OC(C)C(=O)O)c(-c2nsc3ccc(-n4c(=O)cc(C(F)(F)F)n(C)c4=O)cc23)cc1C

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 3/20 0.33
PPARA Q07869 3/20 0.33
PPARG P37231 2/20 0.31
PTGDR2 Q9Y5Y4 2/20 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
SCHEMBL7458191 0.92 POLB (0.31)
SCHEMBL7452375 0.91 PPARG (0.33) PPARDPPARAPPARGPTGDR2
SCHEMBL7457391 0.91 PPARG (0.33) PPARDPPARAPPARGPTGDR2
SCHEMBL7462592 0.91 FFAR4 (0.33) PPARDPPARAPPARGPTGDR2
SCHEMBL7458078 0.89 PDK2 (0.33) PPARDPPARAPPARGPTGDR2
SCHEMBL7452381 0.89 PPARD (0.36) PPARDPPARAPPARG
SCHEMBL7462597 0.89 PPARD (0.36) PPARDPPARAPPARGPTGDR2
SCHEMBL7460101 0.88 PPARG (0.34) PPARDPPARAPPARG
SCHEMBL8095981 0.87 PPARD (0.36) PPARDPPARAPPARG
SCHEMBL7456814 0.87 PPARD (0.36) PPARDPPARAPPARG

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
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
US-6156700-A 3-(1,2-Benzisothiazol- and isoxazol-5-yl)-2,4(1H,3H)-pyrimidinedione or thione and 3-(1,2-benzisothiazol- and isoxazol-5-yl)-4(3H)-pyrimidinone or thione herbicidal agents AMERICAN CYANMID COMPANY (US) 2000-12-05 US disclosed