SCHEMBL3363018

SCHEMBL3363018

CC(=O)CCc1ncc(-c2ccccc2)o1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.74
RXRB P28702 2/20 0.74
RXRG P48443 2/20 0.74
HDAC3 O15379 4/20 0.60
HDAC1 Q13547 4/20 0.60
HDAC4 P56524 3/20 0.60
HDAC7 Q8WUI4 3/20 0.60
HDAC2 Q92769 3/20 0.60
HDAC10 Q969S8 3/20 0.60
HDAC11 Q96DB2 3/20 0.60
HDAC8 Q9BY41 3/20 0.60
HDAC6 Q9UBN7 3/20 0.60
HDAC9 Q9UKV0 3/20 0.60
HDAC5 Q9UQL6 3/20 0.60
NOTUM Q6P988 1/20 0.59
FFAR1 O14842 1/20 0.54
NPC1 O15118 1/20 0.52
CLK1 P49759 1/20 0.52
RAB9A P51151 1/20 0.52
GFER P55789 1/20 0.52

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
SCHEMBL18169217 0.88 RXRA (0.94) RXRARXRBRXRGHDAC3HDAC1
SCHEMBL10247700 0.82 RXRA (0.78) RXRARXRBRXRGHDAC3HDAC1
SCHEMBL4327548 0.79 HDAC1 (0.76) RXRARXRBRXRGHDAC3HDAC1
SCHEMBL3045891 0.79 HDAC1 (0.76) RXRARXRBRXRGHDAC3HDAC1
SCHEMBL10247702 0.79 HDAC1 (0.64) RXRARXRBRXRGHDAC3HDAC1
SCHEMBL15427231 0.79 NOTUM (0.64) RXRARXRBRXRGHDAC3HDAC1
SCHEMBL15606558 0.78 HDAC1 (0.70) RXRARXRBRXRGHDAC3HDAC1
SCHEMBL6069881 0.78 RXRA (0.76) RXRARXRBRXRGHDAC3HDAC1
SCHEMBL13335161 0.78 RXRA (0.68) RXRARXRBRXRGHDAC3HDAC1
SCHEMBL3054236 0.77 HDAC1 (0.72) RXRARXRBRXRGHDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed