SCHEMBL6797508

SCHEMBL6797508

CC(C)c1cc2c(cc1Br)NC(=O)CC2(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.39
RARG P13631 1/20 0.39
HDAC3 O15379 6/20 0.38
HDAC4 P56524 6/20 0.38
HDAC1 Q13547 6/20 0.38
HDAC2 Q92769 6/20 0.38
HDAC8 Q9BY41 6/20 0.38
HDAC6 Q9UBN7 6/20 0.38
HDAC9 Q9UKV0 6/20 0.38
CMA1 P23946 1/20 0.35
AHR P35869 1/20 0.35
MAP3K5 Q99683 1/20 0.33
RXRA P19793 2/20 0.32
HDAC7 Q8WUI4 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
HPGD P15428 1/20 0.30
GFER P55789 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL2242248 0.80 BCHE (0.44) RARBRARGHDAC3HDAC4HDAC1
SCHEMBL17276293 0.78 HDAC3 (0.41) RARBRARGHDAC3HDAC4HDAC1
SCHEMBL29706774 0.78 HDAC3 (0.41) RARBRARGHDAC3HDAC4HDAC1
SCHEMBL8700087 0.76 BCHE (0.44) RARBRARGHDAC3HDAC4HDAC1
SCHEMBL31714583 0.75 RARB (0.40) RARBRARGHDAC3HDAC4HDAC1
SCHEMBL3797862 0.74 HDAC3 (0.41) RARBRARGHDAC3HDAC4HDAC1
SCHEMBL16896885 0.73 GRIN2D (0.41) RARBRARGHDAC3HDAC4HDAC1
SCHEMBL6798019 0.72 HPGD (0.50) RARBRARGHDAC3HDAC4HDAC1
SCHEMBL3796252 0.72 RARB (0.43) RARBRARGHDAC3HDAC4HDAC1
SCHEMBL30885057 0.71 CMA1 (0.59) RARBRARGHDAC3HDAC4HDAC1

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