SCHEMBL6979841

SCHEMBL6979841

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

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.34
ALOX15 P16050 1/20 0.34
HTT P42858 2/20 0.33
LMNA P02545 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
BRD4 O60885 3/20 0.32
KCNJ11 Q14654 1/20 0.31
CA2 P00918 1/20 0.30
GBA1 P04062 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
Dimethylamine SCHEMBL3279441 0.97 SMN1; SMN2 (0.33) SMN1; SMN2ALOX15HTTLMNAMEN1
SCHEMBL12901677 0.76 GAA (0.37) TSHRCA2GBA1
SCHEMBL17192467 0.76 MEN1 (0.31) MEN1MAPTKMT2ABRD4
SCHEMBL13617116 0.74 ALOX15 (0.40) SMN1; SMN2ALOX15HTTLMNAMEN1
SCHEMBL12200835 0.74 GAA (0.38) TSHRCA2
SCHEMBL13827121 0.74 GBA1 (0.33) SMN1; SMN2MEN1KMT2ACA2GBA1
SCHEMBL12707860 0.71 ALOX15 (0.38) SMN1; SMN2ALOX15HTTLMNAMEN1
SCHEMBL12199962 0.71 CA2 (0.31) CA2GBA1
SCHEMBL2998940 0.71 CA2 (0.31) CA2GBA1
SCHEMBL5386730 0.70 GBA1 (0.37) CA2GBA1

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-1280765-A2 FLUOROUS TAGGING COMPOUNDS AND THEIR USE UNIVERSITY OF PITTSBURGH (US) 2003-02-05 EP disclosed
WO-2001085675-A2 FLUOROUS TAGGING COMPOUNDS AND THEIR USE UNIVERSITY OF PITTSBURGH (US) 2001-11-15 WO disclosed