SCHEMBL7464757

SCHEMBL7464757

Cc1cc(C)c(OCC(=O)O)c(-c2nsc3ccc(-n4c(=O)cc(C(F)(F)F)n(C)c4=O)cc23)c1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 9/20 0.36
PPARA Q07869 7/20 0.36
PKM P14618 1/20 0.33
PPARG P37231 2/20 0.32
CSNK2A2 P19784 1/20 0.31
CSNK2B P67870 1/20 0.31
CSNK2A1 P68400 1/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
RORC P51449 1/20 0.30
CTSG P08311 1/20 0.30
CMA1 P23946 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 0.88 PTGDR2 (0.38) PPARDPPARAPKMPPARGMEN1
SCHEMBL7456814 0.88 PPARD (0.36) PPARDPPARAPKMPPARGMEN1
SCHEMBL7461778 0.88
SCHEMBL7454792 0.87 PKM (0.34) PPARDPPARAPKMPPARGMEN1
SCHEMBL8095981 0.87 PPARD (0.36) PPARDPPARAPPARG
SCHEMBL7454798 0.86 PPARD (0.35) PPARDPPARAPKMMEN1POLB
SCHEMBL7459571 0.86 AGER (0.35) PPARDPPARAPKMMEN1POLB
SCHEMBL7455671 0.85 PTGDR2 (0.37) PPARDPPARAPKMMEN1POLB
SCHEMBL7466074 0.84 POLB (0.30) POLB
SCHEMBL7467239 0.83 PTGDR2 (0.34) PPARDPPARAPPARGRORC

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 4 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
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 claimed
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