SCHEMBL7454792

SCHEMBL7454792

Cc1ccc(-c2nsc3ccc(-n4c(=O)cc(C(F)(F)F)n(C)c4=O)cc23)c(OCC(=O)O)c1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.34
PPARD Q03181 10/20 0.34
PPARA Q07869 7/20 0.34
KDM4E B2RXH2 1/20 0.33
FGFR1 P11362 2/20 0.33
EGFR P00533 1/20 0.33
SRC P12931 1/20 0.33
PTGDR2 Q9Y5Y4 2/20 0.33
FFAR4 Q5NUL3 1/20 0.33
RORC P51449 1/20 0.33
PPARG P37231 3/20 0.32
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
MEN1 O00255 1/20 0.31
CYP3A4 P08684 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL7459566 0.94 PTGDR2 (0.38) PKMPPARDPPARAKDM4EFGFR1
SCHEMBL7455671 0.91 PTGDR2 (0.37) PKMPPARDPPARAPTGDR2ALDH1A1
SCHEMBL7456814 0.91 PPARD (0.36) PKMPPARDPPARARORCPPARG
SCHEMBL7467239 0.89 PTGDR2 (0.34) PPARDPPARAFGFR1EGFRSRC
SCHEMBL7458306 0.89 FFAR4 (0.34) PKMPPARDPPARAKDM4EFGFR1
SCHEMBL7453450 0.88 BRD9 (0.34) KDM4EALDH1A1HPGDKMT2A
SCHEMBL7454798 0.88 PPARD (0.35) PKMPPARDPPARAKDM4EALDH1A1
SCHEMBL7466171 0.87 NPC1 (0.30)
SCHEMBL7464757 0.87 PPARD (0.36) PKMPPARDPPARARORCPPARG
SCHEMBL7462592 0.87 FFAR4 (0.33) PPARDPPARAPTGDR2FFAR4PPARG

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