SCHEMBL9854309

SCHEMBL9854309

CCCCOC(=O)C(CC(C)CC)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
ATM Q13315 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
SCHEMBL9854407 0.82 MAPT (0.37) ALDH1A1CA1CA2ATM
SCHEMBL12793529 0.78 CA1 (0.33) ALDH1A1CA1CA2ATM
SCHEMBL9854363 0.74 CA2 (0.42) CA1CA2ATM
SCHEMBL8083858 0.73 CA2 (0.49) CA1CA2ATM
SCHEMBL8752111 0.73 CA2 (0.49) CA1CA2ATM
SCHEMBL9854380 0.71 CA2 (0.58) ALDH1A1CA1CA2ATM
SCHEMBL9854306 0.70 CPB2 (0.42) CA1CA2
SCHEMBL16885075 0.70
SCHEMBL24603122 0.70 HDAC1 (0.38) CA1CA2
SCHEMBL8752147 0.69 MAPT (0.38) CA1CA2

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