SCHEMBL6557245

SCHEMBL6557245

CCOC(=O)c1cc(-n2c(=O)cc(C(F)(F)F)[nH]c2=O)ccc1O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
BCAT1 P54687 7/20 0.46
BCAT2 O15382 5/20 0.46
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HSD17B10 Q99714 2/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
ALDH1A1 P00352 1/20 0.40
EGFR P00533 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL9571692 0.88 BCAT1 (0.45) CA12CA1CA2CA7CA9
SCHEMBL6557384 0.85 BCAT1 (0.45) BCAT1BCAT2MAPTSMN1; SMN2HSD17B10
SCHEMBL9571699 0.78 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL9587737 0.78 BCAT1 (0.42) BCAT1BCAT2MAPTSMN1; SMN2HSD17B10
SCHEMBL9653564 0.77 BCAT1 (0.50) BCAT1BCAT2
SCHEMBL7844546 0.77 BCAT1 (0.41) BCAT1BCAT2MAPTSMN1; SMN2HSD17B10
SCHEMBL7973578 0.76 BCAT1 (0.43) BCAT1BCAT2MAPTSMN1; SMN2HSD17B10
SCHEMBL9652957 0.76 BCAT1 (0.48) BCAT1BCAT2
SCHEMBL9423296 0.76 BCAT1 (0.46) BCAT1BCAT2SMN1; SMN2ALDH1A1KDM4E
SCHEMBL9581280 0.74 BCAT1 (0.50) BCAT1BCAT2MAPTHSD17B10ALDH1A1

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 6 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
EP-0545206-A1 N-Aryl-nitrogenheterocycles and their use as herbicides BAYER AG (DE) 1993-06-09 EP disclosed