SCHEMBL7045874

SCHEMBL7045874

CCCCC[C@@H](C)NC(=O)C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 2/20 0.57
EPHX1 P07099 1/20 0.50
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
TAS1R2 Q8TE23 1/20 0.44
ADH1B P00325 1/20 0.43
ADH1C P00326 1/20 0.43
ADH1A P07327 1/20 0.43
ADH4 P08319 1/20 0.43
ADH7 P40394 1/20 0.43
FAAH O00519 8/20 0.42
CES1 P23141 5/20 0.41
CES2 O00748 2/20 0.41
CA1 P00915 2/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 1/20 0.40
ESR1 P03372 1/20 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
SCHEMBL14399546 0.87 MLYCD (0.52) MLYCDEPHX1TAS1R3TAS1R1TAS1R2
SCHEMBL7230655 0.86 ALDH1A1 (0.46) MLYCDEPHX1TAS1R3TAS1R1TAS1R2
SCHEMBL15942204 0.84 MLYCD (0.42) MLYCDEPHX1TAS1R3TAS1R1TAS1R2
SCHEMBL995905 0.83 MLYCD (0.43) MLYCDEPHX1TAS1R3TAS1R1TAS1R2
SCHEMBL566464 0.83 MLYCD (0.41) MLYCDEPHX1TAS1R3TAS1R1TAS1R2
SCHEMBL566465 0.83 MLYCD (0.41) MLYCDEPHX1TAS1R3TAS1R1TAS1R2
SCHEMBL13246781 0.81 ADH1B (0.47) MLYCDEPHX1TAS1R3TAS1R1TAS1R2
SCHEMBL712857 0.81 EPHX1 (0.50) MLYCDEPHX1FAAHCES1CES2
SCHEMBL18287167 0.80 MLYCD (0.46) MLYCDTAS1R3TAS1R1TAS1R2ADH1B
SCHEMBL12926140 0.80 MLYCD (0.39) MLYCDEPHX1TAS1R3TAS1R1TAS1R2

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