SCHEMBL7463605

SCHEMBL7463605

Cc1ccc(OCC(=O)O)c(-c2noc3cc(F)c(-n4c(=O)cc(C(F)(F)F)n(C)c4=O)cc23)c1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 9/20 0.37
FFAR4 Q5NUL3 2/20 0.33
PKM P14618 1/20 0.33
KDM4E B2RXH2 1/20 0.32
PPARD Q03181 2/20 0.32
PPARA Q07869 1/20 0.32
RORC P51449 1/20 0.32
PPARG P37231 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
FFAR1 O14842 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
SCHEMBL7465900 0.88 PTGDR2 (0.39) PTGDR2PKMKDM4EPPARDPPARA
SCHEMBL8096316 0.87 PPARG (0.40) PTGDR2PPARG
SCHEMBL7463612 0.86 AGER (0.35) PKMKDM4EPPARDALDH1A1POLB
SCHEMBL7460214 0.85 PTGDR2 (0.36) PTGDR2PKMPPARDPPARARORC
SCHEMBL7457336 0.83 NPC1 (0.32)
SCHEMBL7462485 0.82 MAPT (0.35) PTGDR2FFAR4PKMKDM4EPPARD
SCHEMBL8100615 0.82 PTGDR2 (0.33) PTGDR2PPARGPOLB
SCHEMBL7458306 0.79 FFAR4 (0.34) PTGDR2FFAR4PKMKDM4EPPARD
SCHEMBL7460010 0.77 MAPT (0.32) POLB
SCHEMBL8096320 0.77 PPARG (0.37) KDM4EPPARGALDH1A1

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 5 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
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 claimed
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
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
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