SCHEMBL1046192

SCHEMBL1046192

CC(O)(NCC1CC1)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LIPA P38571 1/20 0.34
SAT1 P21673 1/20 0.32
PDK1 Q15118 2/20 0.32
PDK2 Q15119 2/20 0.32
PDK3 Q15120 2/20 0.32
PDK4 Q16654 2/20 0.32
TDP1 Q9NUW8 1/20 0.31
HSD11B1 P28845 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
SCHEMBL14176504 0.71 SAT1 (0.39) SAT1TDP1
SCHEMBL8259142 0.71
SCHEMBL24774557 0.68 JAK2 (0.33) LIPASAT1
SCHEMBL5501993 0.67 CNR2 (0.32) LIPAPDK1PDK2PDK3PDK4
SCHEMBL6009077 0.67 CNR2 (0.32) LIPAPDK1PDK2PDK3PDK4
SCHEMBL12543828 0.67 SAT1 (0.32) SAT1TDP1
SCHEMBL14768807 0.67 SAT1 (0.38) SAT1TDP1
SCHEMBL13999478 0.67 SAT1 (0.38) SAT1TDP1
SCHEMBL13999522 0.67 SAT1 (0.38) SAT1TDP1
SCHEMBL13999524 0.67 SAT1 (0.38) SAT1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2275091-A1 Pharmaceutical compositions comprising adsorbates of an amorphous drug Pfizer Products Inc. (US) 2011-01-19 EP disclosed
EP-1404302-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING ADSORBATES OF AMORPHOUS DRUG PFIZER PROD INC (US) 2010-11-03 EP disclosed