SCHEMBL7462597

SCHEMBL7462597

Cc1cc(OC(C)C(=O)O)ccc1-c1nsc2ccc(-n3c(=O)cc(C(F)(F)F)n(C)c3=O)cc12

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.36
PPARA Q07869 2/20 0.36
TDP1 Q9NUW8 1/20 0.35
PDK2 Q15119 1/20 0.35
PPARG P37231 2/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
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
SCHEMBL7452381 0.94 PPARD (0.36) PPARDPPARATDP1PDK2PPARG
SCHEMBL7461699 0.92 POLB (0.36) KDM4EALDH1A1HPGD
SCHEMBL7457256 0.89 PPARD (0.33) PPARDPPARAPPARGPTGDR2
SCHEMBL8093870 0.88 TDP1 (0.34) PPARDPPARATDP1PDK2PPARG
SCHEMBL7462592 0.88 FFAR4 (0.33) PPARDPPARAPPARGPTGDR2
SCHEMBL8095981 0.87 PPARD (0.36) PPARDPPARAPPARG
SCHEMBL7454798 0.87 PPARD (0.35) PPARDPPARATDP1KDM4EALDH1A1
SCHEMBL7460101 0.87 PPARG (0.34) PPARDPPARAPPARG
SCHEMBL7452375 0.86 PPARG (0.33) PPARDPPARAPPARGPTGDR2
SCHEMBL7457391 0.86 PPARG (0.33) PPARDPPARAPPARGPTGDR2

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