SCHEMBL9683610

SCHEMBL9683610

CC(C)OC(=O)CC(NC(=O)C(F)(F)F)C(=O)OC(C)C

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.32
ESR1 P03372 1/20 0.31
KCNH2 Q12809 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.30

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
SCHEMBL9683613 1.00 LMNA (0.32) LMNAESR1KCNH2MAPTTSHR
SCHEMBL468693 0.80 ALDH1A1 (0.40) LMNAMAPTTSHR
SCHEMBL468692 0.80 ALDH1A1 (0.40) LMNAMAPTTSHR
SCHEMBL9159179 0.75 LMNA (0.37) LMNAMAPTTSHR
SCHEMBL8581978 0.75 LMNA (0.37) LMNAMAPTTSHR
SCHEMBL25504659 0.74 LMNA (0.36) LMNAMAPTTSHR
SCHEMBL9341590 0.74 ALDH1A1 (0.50) LMNATSHR
SCHEMBL25475988 0.73 LMNA (0.39) LMNAMAPTTSHR
SCHEMBL5350166 0.73 SLC22A6 (0.33) MAPT
SCHEMBL7834369 0.73 SLC22A6 (0.33) MAPT

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
US-5144073-A Decyclization of diketopiperazine intermediates EASTMAN CHEMICAL COMPANY 1992-09-01 US disclosed