SCHEMBL5704692

SCHEMBL5704692

CCC[C@](N)(C(=O)O)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
THRB P10828 1/20 0.38
KMT2A Q03164 1/20 0.38
FDPS P14324 1/20 0.37
GGT1 P19440 1/20 0.33
ODC1 P11926 2/20 0.32
ARG1 P05089 2/20 0.32
ARG2 P78540 2/20 0.32
LMNA P02545 2/20 0.32
CES2 O00748 2/20 0.32
HSD17B10 Q99714 1/20 0.32
FAAH O00519 5/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL5704688 1.00 MEN1 (0.38) MEN1ALDH1A1CYP1A2THRBKMT2A
SCHEMBL21199502 1.00 MEN1 (0.38) MEN1ALDH1A1CYP1A2THRBKMT2A
SCHEMBL188441 0.87 FDPS (0.41) MEN1ALDH1A1CYP1A2THRBKMT2A
SCHEMBL188440 0.87 FDPS (0.41) MEN1ALDH1A1CYP1A2THRBKMT2A
SCHEMBL5704613 0.87 FDPS (0.41) MEN1ALDH1A1CYP1A2THRBKMT2A
SCHEMBL1629778 0.81 MEN1 (0.40) MEN1ALDH1A1CYP1A2THRBKMT2A
SCHEMBL19939465 0.79 ARG2 (0.37) MEN1ALDH1A1CYP1A2THRBKMT2A
SCHEMBL18071344 0.79 ARG2 (0.37) MEN1ALDH1A1CYP1A2THRBKMT2A
SCHEMBL10994053 0.77 FDPS (0.32) FDPS
SCHEMBL10994050 0.77 NOS1 (0.32) MEN1ALDH1A1CYP1A2THRBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030194378-A1 Novel aerosol formulation containing a polar fluorinated molecule ASTRAZENECA AB (SE) 2003-10-16 US claimed
EP-1303258-A1 NOVEL AEROSOL FORMULATION CONTAINING A POLAR FLUORINATED MOLECULE AstraZeneca AB (SE) 2003-04-23 EP claimed
WO-2002003958-A1 NOVEL AEROSOL FORMULATION CONTAINING A POLAR FLUORINATED MOLECULE ASTRAZENECA AB (SE) 2002-01-17 WO claimed
EP-1303258-B1 NOVEL AEROSOL FORMULATION CONTAINING A POLAR FLUORINATED MOLECULE ASTRAZENECA AB (SE) 2006-10-11 EP disclosed
US-20030194378-A1 Novel aerosol formulation containing a polar fluorinated molecule ASTRAZENECA AB (SE) 2003-10-16 US disclosed
EP-1303258-A1 NOVEL AEROSOL FORMULATION CONTAINING A POLAR FLUORINATED MOLECULE AstraZeneca AB (SE) 2003-04-23 EP disclosed
WO-2002003958-A1 NOVEL AEROSOL FORMULATION CONTAINING A POLAR FLUORINATED MOLECULE ASTRAZENECA AB (SE) 2002-01-17 WO disclosed