SCHEMBL8100615

SCHEMBL8100615

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

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.33
MAPT P10636 3/20 0.32
RAB9A P51151 1/20 0.32
TP53 P04637 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
EGLN1 Q9GZT9 1/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
PPARG P37231 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
RXFP1 Q9HBX9 1/20 0.30
POLB P06746 1/20 0.30
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
HTR2C P28335 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
BRD4 O60885 1/20 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
SCHEMBL7465900 0.93 PTGDR2 (0.39) PTGDR2MAPTPPARGBRD4
SCHEMBL7460010 0.91 MAPT (0.32) MAPTRAB9ATP53HCRTR1HCRTR2
SCHEMBL7462485 0.88 MAPT (0.35) PTGDR2MAPTPPARGPOLBLMNA
SCHEMBL7458857 0.82 BRD9 (0.36) MAPT
SCHEMBL7460214 0.82 PTGDR2 (0.36) PTGDR2PPARG
SCHEMBL7463605 0.82 PTGDR2 (0.37) PTGDR2PPARGPOLB
SCHEMBL7460197 0.82 PPARG (0.43) PTGDR2PPARG
SCHEMBL7461938 0.80 PPARG (0.36) L3MBTL1PPARGSMN1; SMN2POLB
SCHEMBL7458109 0.80 HSP90AA1 (0.39) MAPTRAB9ATP53LMNA
SCHEMBL7465907 0.79 KDM4E (0.39) MAPTL3MBTL1POLBLMNATDP1

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
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