SCHEMBL7053356

SCHEMBL7053356

CC(=O)ON=C1C(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c21

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES1 P23141 6/20 0.43
UCHL3 P15374 4/20 0.33
UCHL1 P09936 4/20 0.33
TGM2 P21980 2/20 0.33
NOTUM Q6P988 3/20 0.32
CCNB2 O95067 1/20 0.31
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31
CDK5 Q00535 1/20 0.31
CDK5R1 Q15078 1/20 0.31
CCNB3 Q8WWL7 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 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
SCHEMBL7054468 0.91 CES1 (0.40) CES1UCHL3UCHL1TGM2NOTUM
SCHEMBL7054407 0.87 GSK3A (0.31) CES1GSK3AGSK3B
SCHEMBL7048384 0.86 AURKB (0.31) CES1CCNB2CDK1CCNB1GSK3A
SCHEMBL7055733 0.84 CES1 (0.39) CES1TGM2ALDH1A1LMNAMAPT
SCHEMBL7051540 0.81 CES1 (0.50) CES1TGM2NOTUMPOLBMAPT
SCHEMBL7051542 0.81 CES1 (0.50) CES1TGM2NOTUMPOLBMAPT
SCHEMBL7052827 0.80 CES1 (0.38) CES1UCHL3UCHL1CCNB2CDK1
SCHEMBL7048274 0.78 GSK3A (0.31) TGM2GSK3AGSK3B
SCHEMBL7054978 0.77 AGTR1 (0.32) TGM2CCNB2CDK1CCNB1GSK3A
SCHEMBL7051808 0.76 CES1 (0.36) CES1TGM2ALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0706396-B1 1,2,3,4-TETRAHYDROQUINOLINE-2,3,4-TRIONE-3 OR 4-OXIMES AND USE OREGON STATE (US) 2003-05-02 EP disclosed
EP-0706396-A4 1,2,3,4-TETRAHYDROQUINOLINE-2,3,4-TRIONE-3 OR 4-OXIMES AND USE OREGON STATE (US) 1998-12-09 EP disclosed
US-5652368-A NERVOUS SYSTEM DISORDERS, ALZHEIMER'S DISEASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1997-07-29 US disclosed
EP-0706396-A1 1,2,3,4-TETRAHYDROQUINOLINE-2,3,4-TRIONE-3 OR 4-OXIMES AND USE STATE OF OREGON ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION ON BEHALF OF OREGON STATE UNIVERSITY (US) 1996-04-17 EP disclosed
US-5475007-A Preventing convulsions THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1995-12-12 US disclosed
WO-1994027605-A1 1,2,3,4-TETRAHYDROQUINOLINE-2,3,4-TRIONE-3 OR 4-OXIMES AND USE STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON, EUGENE, OREGON (US) 1994-12-08 WO disclosed