SCHEMBL6557384

SCHEMBL6557384

CCOC(=O)c1cc(-n2c(=O)cc(C(F)(F)F)[nH]c2=O)ccc1OC(C)=O

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BCAT1 P54687 12/20 0.45
BCAT2 O15382 10/20 0.45
MAPT P10636 3/20 0.41
LMNA P02545 1/20 0.40
HSD17B10 Q99714 2/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTT P42858 1/20 0.39
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38

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
SCHEMBL6557245 0.85 CA12 (0.46) BCAT1BCAT2MAPTHSD17B10ALDH1A1
SCHEMBL6557576 0.80 MAPT (0.42) MAPTLMNAHSD17B10ALDH1A1HTT
SCHEMBL6559291 0.79 MAPT (0.39) MAPTLMNAHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL7844546 0.78 BCAT1 (0.41) BCAT1BCAT2MAPTHSD17B10ALDH1A1
SCHEMBL9587737 0.75 BCAT1 (0.42) BCAT1BCAT2MAPTHSD17B10ALDH1A1
SCHEMBL9653564 0.74 BCAT1 (0.50) BCAT1BCAT2
SCHEMBL9571692 0.73 BCAT1 (0.45) BCAT1BCAT2MAPTHSD17B10PTGS2
SCHEMBL7973578 0.73 BCAT1 (0.43) BCAT1BCAT2MAPTHSD17B10ALDH1A1
SCHEMBL9652957 0.73 BCAT1 (0.48) BCAT1BCAT2
SCHEMBL9423250 0.73 BCAT1 (0.48) BCAT1BCAT2ALDH1A1SMN1; SMN2

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-1021417-B1 SUBSTITUTED PHENYLURACILS BAYER CROPSCIENCE AG (DE) 2004-03-10 EP disclosed
US-6362337-B1 ACYLATING A HYDROXYPHENYLURACIL COMPOUND BAYER AKTIENGESELLSCHAFT (DE) 2002-03-26 US disclosed
US-6277789-B1 HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-08-21 US disclosed
EP-1021417-A1 SUBSTITUTED PHENYLURACILS Bayer Aktiengesellschaft (DE) 2000-07-26 EP disclosed
WO-1999012913-A1 SUBSTITUTED PHENYLURACILS BAYER AKTIENGESELLSCHAFT (DE) 1999-03-18 WO disclosed