SCHEMBL7465757

SCHEMBL7465757

Cn1c(C(F)(F)F)cc(=O)n(-c2ccc3snc(-c4cc(C=O)ccc4OCC(=O)O)c3c2)c1=O

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 6/20 0.33
PPARA Q07869 3/20 0.33
RORC P51449 1/20 0.33
PKM P14618 1/20 0.32
PTGDR2 Q9Y5Y4 8/20 0.32
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PPARG P37231 1/20 0.31
ALDH1A1 P00352 1/20 0.30
POLB P06746 2/20 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 0.90 PTGDR2 (0.38) PPARDPPARARORCPKMPTGDR2
SCHEMBL7455671 0.88 PTGDR2 (0.37) PPARDPPARAPKMPTGDR2MEN1
SCHEMBL7456814 0.88 PPARD (0.36) PPARDPPARARORCPKMMEN1
SCHEMBL7457701 0.88 ALDH1A1 (0.33) ALDH1A1
SCHEMBL7454792 0.86 PKM (0.34) PPARDPPARARORCPKMPTGDR2
SCHEMBL7467239 0.85 PTGDR2 (0.34) PPARDPPARARORCPTGDR2PPARG
SCHEMBL7051566 0.82 KDM4E (0.35) MEN1KMT2APOLB
SCHEMBL7459571 0.82 AGER (0.35) PPARDPPARAPKMMEN1MAPT
SCHEMBL7454798 0.82 PPARD (0.35) PPARDPPARAPKMMEN1MAPT
SCHEMBL7464757 0.81 PPARD (0.36) PPARDPPARARORCPKMMEN1

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