SCHEMBL8306696

SCHEMBL8306696

CC(F)([C]=O)C(=O)CC(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FAAH O00519 8/20 0.32
CES1 P23141 5/20 0.31
CES2 O00748 2/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL8406316 0.74 KMT2A (0.33) FAAHCES1CES2MEN1CYP1A2
SCHEMBL6995020 0.70 KDM4E (0.31) FAAH
SCHEMBL18291779 0.68 PLA2G4A (0.34) FAAHCES1CES2MEN1CYP1A2
SCHEMBL5491344 0.68 HMGCR (0.35)
SCHEMBL2892041 0.68 FAAH (0.40) FAAHCES1CES2MEN1CYP1A2
SCHEMBL6151160 0.67 FAAH (0.37) FAAHCES1CES2MEN1CYP1A2
SCHEMBL5653486 0.65
Hydrochloric Acid SCHEMBL4666352 0.64 KDM4E (0.31)
SCHEMBL2000632 0.64 CES1 (0.30) CES1
SCHEMBL14769297 0.64 LIPA (0.36)

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
EP-0898570-A1 HERBICIDAL HETEROCYCLICALLY SUBSTITUTED BENZOYLISOTHIAZOLES BASF AKTIENGESELLSCHAFT (DE) 1999-03-03 EP disclosed
WO-1997038996-A1 HERBICIDAL HETEROCYCLICALLY SUBSTITUTED BENZOYLISOTHIAZOLES BASF AKTIENGESELLSCHAFT (DE) 1997-10-23 WO disclosed