SCHEMBL7467239

SCHEMBL7467239

Cc1ccc(OCC(=O)OCC(=O)O)c(-c2nsc3ccc(-n4c(=O)cc(C(F)(F)F)n(C)c4=O)cc23)c1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.34
PPARD Q03181 5/20 0.32
PPARA Q07869 3/20 0.32
EGFR P00533 1/20 0.31
FGFR1 P11362 1/20 0.31
SRC P12931 1/20 0.31
RORC P51449 1/20 0.30
PPARG P37231 1/20 0.30

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
SCHEMBL7459566 0.95 PTGDR2 (0.38) PTGDR2PPARDPPARAEGFRFGFR1
SCHEMBL7051566 0.92 KDM4E (0.35)
SCHEMBL8339743 0.90 ESR1 (0.30)
SCHEMBL7454792 0.89 PKM (0.34) PTGDR2PPARDPPARAEGFRFGFR1
SCHEMBL7456814 0.87 PPARD (0.36) PPARDPPARARORCPPARG
SCHEMBL7455498 0.87 ALPL (0.33)
SCHEMBL7467248 0.87 TP53 (0.32)
SCHEMBL7453077 0.87 TRPM8 (0.33)
SCHEMBL7459184 0.87 BCHE (0.31)
SCHEMBL7462824 0.87 TP53 (0.33)

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 disclosed
EP-0908457-A1 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 American Cyanamid Company (US) 1999-04-14 EP disclosed