SCHEMBL7477047

SCHEMBL7477047

CC(C)CC(=O)[N]S(C)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
CA2 P00918 1/20 0.37
POLB P06746 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP2C19 P33261 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
SCHEMBL7472639 0.81 ALDH1A1 (0.40) ALDH1A1TDP1CA2POLBNPSR1
SCHEMBL5639323 0.74
SCHEMBL5691920 0.71 ALDH1A1 (0.50) ALDH1A1TDP1CA2CYP2C19
SCHEMBL8880054 0.69
SCHEMBL1513097 0.69
SCHEMBL15744597 0.69
SCHEMBL6310833 0.68 CES2 (0.39) ALDH1A1
SCHEMBL16784979 0.67
SCHEMBL13096990 0.67
SCHEMBL6315116 0.67

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-0923562-B1 SUBSTITUTED P-TRIFLUOROMETHYLPHENYLURACILS BAYER AG (DE) 2002-10-09 EP disclosed
US-6444616-B1 HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2002-09-03 US disclosed
US-6130225-A Substituted p-trifluoromethylphenyluracils BAYER AKTIENGESELLSCHAFT (DE) 2000-10-10 US disclosed
EP-0923562-A1 SUBSTITUTED P-TRIFLUOROMETHYLPHENYLURACILS BAYER AG (DE) 1999-06-23 EP disclosed
WO-1998006706-A1 SUBSTITUTED P-TRIFLUOROMETHYLPHENYLURACILS BAYER AKTIENGESELLSCHAFT (DE) 1998-02-19 WO disclosed