SCHEMBL9854306

SCHEMBL9854306

CCCCCCC(CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)OCC

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 2/20 0.42
CA2 P00918 2/20 0.38
CA1 P00915 1/20 0.38
ZDHHC7 Q9NXF8 1/20 0.36
MAPT P10636 1/20 0.36
GRIK1 P39086 1/20 0.35
GRIK2 Q13002 1/20 0.35
FAAH O00519 7/20 0.33
CES1 P23141 5/20 0.33
GPR84 Q9NQS5 3/20 0.33
CES2 O00748 2/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
FFAR1 O14842 1/20 0.33

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
SCHEMBL9854363 0.93 CA2 (0.42) CPB2CA2CA1MAPTKMT2A
SCHEMBL9854407 0.89 MAPT (0.37) CPB2CA2CA1ZDHHC7MAPT
SCHEMBL9854380 0.81 CA2 (0.58) CA2CA1ZDHHC7
SCHEMBL8752147 0.79 MAPT (0.38) CPB2CA2CA1ZDHHC7MAPT
SCHEMBL8752093 0.78 CA2 (0.40) CPB2CA2CA1ZDHHC7MAPT
SCHEMBL25279786 0.78 CA2 (0.60) CPB2CA2CA1ZDHHC7MAPT
SCHEMBL3671861 0.78 CA2 (0.60) CPB2CA2CA1ZDHHC7MAPT
SCHEMBL5046728 0.78 CA2 (0.60) CPB2CA2CA1ZDHHC7MAPT
SCHEMBL2334605 0.78 CA2 (0.60) CPB2CA2CA1ZDHHC7MAPT
SCHEMBL3682871 0.78 CA2 (0.60) CPB2CA2CA1ZDHHC7MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0252736-B1 PROCESS FOR PREPARING FLUORINE-CONTAINING CARBOXYLIC ACID ESTER SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-07-24 EP disclosed
US-4855487-A Process for preparing fluorine-containing carboxylic acid ester SAGAMI CHEMICAL RESEARCH CENTER (JP) 1989-08-08 US disclosed
EP-0252736-A2 Process for preparing fluorine-containing carboxylic acid ester SAGAMI CHEMICAL RESEARCH CENTER (JP) 1988-01-13 EP disclosed