SCHEMBL7460197

SCHEMBL7460197

Cc1ccc(OC(C)C(=O)O)c(-c2noc3ccc(-n4c(=O)cc(C(F)(F)F)n(C)c4=O)cc23)c1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 16/20 0.43
PTGDR2 Q9Y5Y4 3/20 0.33
ABCB11 O95342 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
SCHEMBL7461938 0.92 PPARG (0.36) PPARG
SCHEMBL8096316 0.88 PPARG (0.40) PPARGPTGDR2
SCHEMBL7462585 0.88 PPARG (0.36) PPARG
SCHEMBL7467969 0.87 PPARG (0.36) PPARG
SCHEMBL7458857 0.86 BRD9 (0.36)
SCHEMBL7465900 0.86 PTGDR2 (0.39) PPARGPTGDR2
SCHEMBL7460207 0.86 ALDH1A1 (0.39) PPARG
SCHEMBL7457391 0.85 PPARG (0.33) PPARGPTGDR2ABCB11
SCHEMBL7452375 0.85 PPARG (0.33) PPARGPTGDR2ABCB11
SCHEMBL7458109 0.84 HSP90AA1 (0.39)

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