SCHEMBL8093870

SCHEMBL8093870

Cc1cc(OC(C)C(=O)O)ccc1-c1nsc2cc(F)c(-n3c(=O)cc(C(F)(F)F)n(C)c3=O)cc12

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.34
PDK2 Q15119 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
PPARG P37231 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
SCHEMBL8093868 0.89 FFAR4 (0.35) PPARG
SCHEMBL7462597 0.88 PPARD (0.36) TDP1PDK2PPARDPPARAKDM4E
SCHEMBL7458315 0.88 PPARD (0.34) TDP1PPARDKDM4E
SCHEMBL7452381 0.82 PPARD (0.36) TDP1PDK2PPARDPPARAKDM4E
SCHEMBL7461699 0.81 POLB (0.36) KDM4EALDH1A1HPGD
SCHEMBL8096320 0.79 PPARG (0.37) TDP1PDK2KDM4EALDH1A1HPGD
SCHEMBL7460264 0.79
SCHEMBL7458306 0.79 FFAR4 (0.34) PPARDPPARAKDM4EALDH1A1HPGD
SCHEMBL7457256 0.77 PPARD (0.33) PPARDPPARAPPARG
SCHEMBL6770359 0.77 BCAT1 (0.30)

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
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