SCHEMBL7045878

SCHEMBL7045878

CCCCC[CH]CNC(=O)C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.58
FAAH O00519 12/20 0.45
CES1 P23141 7/20 0.45
ALDH1A1 P00352 2/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PLA2G4B P0C869 1/20 0.42
MAPT P10636 1/20 0.42
PLA2G4A P47712 1/20 0.42
BLM P54132 1/20 0.42
MGLL Q99685 1/20 0.42
PLA2G4C Q9UP65 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CES2 O00748 2/20 0.40
CYP1A2 P05177 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CA3 P07451 2/20 0.39
CA5A P35218 2/20 0.39
CA5B Q9Y2D0 2/20 0.39

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
SCHEMBL1389225 0.75 EPHX1 (0.96) EPHX1FAAHCES1ALDH1A1POLB
SCHEMBL420349 0.74 EPHX1 (0.52) EPHX1FAAHCES1ALDH1A1PLA2G4B
SCHEMBL10690536 0.73 EPHX1 (1.00) EPHX1FAAHCES1ALDH1A1POLB
SCHEMBL5057808 0.73 EPHX1 (1.00) EPHX1FAAHCES1ALDH1A1POLB
SCHEMBL11475528 0.73 EPHX1 (1.00) EPHX1FAAHCES1ALDH1A1POLB
SCHEMBL13010044 0.73 EPHX1 (1.00) EPHX1FAAHCES1ALDH1A1POLB
SCHEMBL7716931 0.73 EPHX1 (1.00) EPHX1FAAHCES1ALDH1A1POLB
SCHEMBL10683800 0.73 EPHX1 (1.00) EPHX1FAAHCES1ALDH1A1POLB
SCHEMBL10688529 0.73 EPHX1 (1.00) EPHX1FAAHCES1ALDH1A1POLB
SCHEMBL10685206 0.73 EPHX1 (1.00) EPHX1FAAHCES1ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0996612-B1 ALIPHATIC PROPARGYLAMINES AS CELLULAR RESCUE AGENTS UNIV SASKATCHEWAN (CA) 2003-04-09 EP disclosed
US-6251950-B1 ADMINISTERING TO THE PATIENT AN ALIPHATIC-PROPARGYLAMINE OR SALT FOR THE TREATMENT OF ACUTE AND CHRONIC DISEASES IN WHICH CELL DEATH OCCURS BY APOPTOSIS OR FOR THE TREATMENT OF PREMATURE DEGENERATION OF CELLS IN MAMMALS UNIVERSITY OF SASKATCHEWAN (CA) 2001-06-26 US disclosed
EP-0996612-A2 ALIPHATIC PROPARGYLAMINES AS CELLULAR RESCUE AGENTS University of Saskatchewan Technologies Inc. (CA) 2000-05-03 EP disclosed
WO-1999003817-A2 ALIPHATIC PROPARGYLAMINES AS CELLULAR RESCUE AGENTS UNIVERSITY OF SASKATCHEWAN TECHNOLOGIES INC. (CA) 1999-01-28 WO disclosed
US-5840979-A USEFUL IN THE TREATMENT AND PREVENTION OF DISEASES IN WHICH CELL DEATH OCCURS BY APOPTOSIS UNIVERSITY OF SASKATCHEWAN (CA) 1998-11-24 US disclosed