SCHEMBL7048302

SCHEMBL7048302

CC(=O)ON=C1C(=O)Nc2cc(Cl)c(Cl)c(Cl)c2C1=O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CES1 P23141 3/20 0.36
UCHL3 P15374 4/20 0.34
UCHL1 P09936 4/20 0.34
CCNB2 O95067 2/20 0.33
CDK1 P06493 2/20 0.33
CCNB1 P14635 2/20 0.33
GSK3A P49840 2/20 0.33
GSK3B P49841 2/20 0.33
CDK5 Q00535 2/20 0.33
CDK5R1 Q15078 2/20 0.33
CCNB3 Q8WWL7 2/20 0.33
TGM2 P21980 1/20 0.32

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
SCHEMBL7053378 0.90 CES1 (0.39) CES1UCHL3UCHL1CCNB2CDK1
SCHEMBL7049499 0.85 CES1 (0.54) CES1UCHL3UCHL1CCNB2CDK1
SCHEMBL7051101 0.85 ALDH1A1 (0.33) CES1UCHL3UCHL1CCNB2CDK1
SCHEMBL7054500 0.85 TSHR (0.36) CES1UCHL3UCHL1CCNB2CDK1
SCHEMBL7051654 0.82 KMT2A (0.39) CES1TGM2
SCHEMBL7054757 0.81 CES1 (0.53) CES1UCHL3UCHL1CCNB2CDK1
SCHEMBL7050452 0.79 CES1 (0.38) CES1UCHL3UCHL1CCNB2CDK1
SCHEMBL7049495 0.79 UCHL3 (0.38) CES1UCHL3UCHL1CCNB2CDK1
SCHEMBL7050698 0.79 CES1 (0.42) CES1TGM2
SCHEMBL7050694 0.79 CES1 (0.42) CES1TGM2

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