SCHEMBL9854407

SCHEMBL9854407

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

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.37
CA2 P00918 2/20 0.36
CA1 P00915 1/20 0.36
NAAA Q02083 1/20 0.35
CES2 O00748 2/20 0.35
ZDHHC7 Q9NXF8 1/20 0.35
ALDH1A1 P00352 1/20 0.34
EPHX1 P07099 1/20 0.33
GRIK1 P39086 1/20 0.33
GRIK2 Q13002 1/20 0.33
TSHR P16473 2/20 0.33
ATM Q13315 1/20 0.33
CPB2 Q96IY4 1/20 0.32
CES1 P23141 2/20 0.32
GPR84 Q9NQS5 2/20 0.32
DGKA P23743 1/20 0.32
FAAH O00519 1/20 0.32

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
SCHEMBL9854306 0.89 CPB2 (0.42) MAPTCA2CA1CES2ZDHHC7
SCHEMBL8752147 0.85 MAPT (0.38) MAPTCA2CA1NAAACES2
SCHEMBL9854363 0.85 CA2 (0.42) MAPTCA2CA1TSHRATM
SCHEMBL8752093 0.84 CA2 (0.40) MAPTCA2CA1NAAACES2
SCHEMBL9854380 0.82 CA2 (0.58) CA2CA1ZDHHC7ALDH1A1ATM
SCHEMBL9854309 0.82 ALDH1A1 (0.33) CA2CA1ALDH1A1ATM
SCHEMBL8752111 0.78 CA2 (0.49) CA2CA1TSHRATM
SCHEMBL8083858 0.78 CA2 (0.49) CA2CA1TSHRATM
SCHEMBL303157 0.77 CA2 (0.58) MAPTCA2CA1NAAAZDHHC7
SCHEMBL3403953 0.77 CA2 (0.58) MAPTCA2CA1NAAAZDHHC7

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