SCHEMBL7465900

SCHEMBL7465900

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

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 11/20 0.39
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.34
PPARG P37231 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PPARD Q03181 2/20 0.33
PPARA Q07869 1/20 0.33
RORC P51449 1/20 0.33
BRD4 O60885 1/20 0.32

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
SCHEMBL7462485 0.94 MAPT (0.35) PTGDR2MAPTPKMPPARGKDM4E
SCHEMBL8100615 0.93 PTGDR2 (0.33) PTGDR2MAPTPPARGBRD4
SCHEMBL7463605 0.88 PTGDR2 (0.37) PTGDR2PKMPPARGKDM4EPPARD
SCHEMBL7460010 0.88 MAPT (0.32) MAPT
SCHEMBL7458857 0.87 BRD9 (0.36) MAPT
SCHEMBL7460214 0.87 PTGDR2 (0.36) PTGDR2PKMPPARGPPARDPPARA
SCHEMBL7460197 0.86 PPARG (0.43) PTGDR2PPARG
SCHEMBL7462493 0.85 KDM4E (0.39) MAPTPKMKDM4EPPARD
SCHEMBL7465907 0.85 KDM4E (0.39) MAPTPKMKDM4EPPARD
SCHEMBL7459566 0.85 PTGDR2 (0.38) PTGDR2MAPTPKMPPARGKDM4E

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 4 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
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