SCHEMBL6326520

SCHEMBL6326520

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

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
FAAH O00519 8/20 0.33
CES2 O00748 3/20 0.33
CES1 P23141 6/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MGAM O43451 1/20 0.30
GAA P10253 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 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
SCHEMBL6320620 0.92 LMNA (0.34) LMNAFAAHCES2CES1MEN1
SCHEMBL9598364 0.82 LMNA (0.50) LMNAFAAHMGAMGAASI
SCHEMBL196660 0.79 LMNA (0.39) LMNAFAAHCES2CES1MEN1
SCHEMBL20680197 0.78 FAAH (0.36) FAAHCES2CES1MEN1CYP1A2
SCHEMBL10570400 0.77 MGAM (0.44) LMNAFAAHHSD17B10MGAMGAA
SCHEMBL10779438 0.77 LMNA (0.44) LMNAFAAHMGAMGAASI
SCHEMBL106759 0.74 LMNA (0.50) LMNAMEN1KMT2AMGAMGAA
SCHEMBL2306711 0.74 LMNA (0.50) LMNACYP1A2MGAMGAASI
SCHEMBL6322467 0.74 LMNA (0.37) LMNA
SCHEMBL6322477 0.74 LMNA (0.37) LMNA

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-6893861-B1 Method for producing trifluoro-3(r)-hydroxybutyric acid derivatives LONZA AG (CH) 2005-05-17 US disclosed