SCHEMBL6798019

SCHEMBL6798019

CC(C)c1ccc2c(c1)C(C)(C)CC(=O)N2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.50
GFER P55789 1/20 0.50
HSD17B10 Q99714 1/20 0.50
HDAC3 O15379 6/20 0.44
HDAC4 P56524 6/20 0.44
HDAC1 Q13547 6/20 0.44
HDAC2 Q92769 6/20 0.44
HDAC8 Q9BY41 6/20 0.44
HDAC6 Q9UBN7 6/20 0.44
HDAC9 Q9UKV0 6/20 0.44
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
XBP1 P17861 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
MDM2 Q00987 1/20 0.40

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
SCHEMBL27949187 0.81 HDAC3 (0.40) HPGDGFERHSD17B10HDAC3HDAC4
SCHEMBL14827505 0.81 HPGD (0.43) HPGDGFERHSD17B10MEN1KMT2A
SCHEMBL2242664 0.78 CYP1A2 (0.49) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL19260231 0.77 AHR (0.54) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL17675519 0.77 HDAC3 (0.46) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL23078930 0.77 HDAC3 (0.49) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL248152 0.77 CMA1 (0.54) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL5643759 0.77 PGR (0.51) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL12072390 0.77 HDAC3 (0.46) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL1771822 0.77 CA9 (0.49) HDAC3HDAC4HDAC1HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004108678-A1 (1,2,3,4-TETRAHYDROQUINOLIN-8-YL)-HEPTATRIENOIC ACID DERIVATIVES HAVING SERUM GLUCOSE REDUCING ACTIVITY ALLERGAN, INC. (US) 2004-12-16 WO disclosed
US-6734193-B1 REDUCE SERUM GLUCOSE AND SERUM TRIGLYCERIDE LEVELS IN DIABETIC MAMMALS WITHOUT THE UNDESIRABLE PROPERTIES OF REDUCING SERUM THYROXINE LEVELS AND TRANSIENTLY RAISING TRIGLYCERIDE LEVELS ALLERGAN, INC. 2004-05-11 US disclosed