SCHEMBL29243185

SCHEMBL29243185

CCC(F)C(F)(F)C(=O)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.38
FAAH O00519 8/20 0.32
CES1 P23141 5/20 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
SCHEMBL10469608 0.82 ACHE (0.32) CES2FAAHCES1MEN1CYP1A2
SCHEMBL27741759 0.79 CES2 (0.46) CES2FAAHCES1MEN1CYP1A2
SCHEMBL1706440 0.78 MAPT (0.31)
SCHEMBL27966643 0.77
SCHEMBL29033390 0.77 FAAH (0.30) FAAH
SCHEMBL3626252 0.76 CA1 (0.31)
SCHEMBL5340515 0.76 TSHR (0.40) CES2FAAHCES1MEN1CYP1A2
SCHEMBL620037 0.72
SCHEMBL30495540 0.72 CES2 (0.32) CES2
SCHEMBL1648854 0.71 CHRM1 (0.37) CES2FAAHCES1MEN1CYP1A2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118255653-A Method for preparing perfluoro-hexanone by isomerization 内蒙古永和氟化工有限公司 2024-06-28 CN disclosed