SCHEMBL1689290

SCHEMBL1689290

[CH2]C(C)(C)NC(=O)CCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.48
HDAC1 Q13547 4/20 0.48
HDAC2 Q92769 4/20 0.48
HDAC8 Q9BY41 4/20 0.48
HDAC6 Q9UBN7 1/20 0.48
ALDH1A1 P00352 1/20 0.47
CTSD P07339 1/20 0.46
CASP2 P42575 1/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
TP53 P04637 1/20 0.36
FFAR3 O14843 3/20 0.36
PRSS1 P07477 1/20 0.35
CTSG P08311 1/20 0.35
CTRB1 P17538 1/20 0.35
CMA1 P23946 1/20 0.35
TSHR P16473 1/20 0.35
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL1234217 0.80
SCHEMBL10170 0.80 HDAC2 (0.52) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL9253803 0.77 CTSD (0.48) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL12442408 0.76 CTSD (0.52) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL12608293 0.76 ALDH1A1 (0.57) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL9252325 0.76 CTSD (0.46) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL10179 0.74 HDAC3 (0.46) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL619220 0.74 ALDH1A1 (0.55) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL13164581 0.74 HDAC3 (0.41) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL3473725 0.73 HDAC3 (0.50) HDAC3HDAC1HDAC2HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1851224-A2 HYDROXYALKYL SUBSTITUTED IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2007-11-07 EP claimed
EP-1851218-A2 HYDROXYALKYL SUBSTITUTED IMIDAZOQUINOLINE COMPOUNDS AND METHODS 3M Innovative Properties Company (US) 2007-11-07 EP claimed
WO-2006098852-A2 HYDROXYALKYL SUBSTITUTED IMIDAZOQUINOLINES COLEY PHARMACEUTICAL GROUP, INC. (US) 2006-09-21 WO claimed
WO-2006091567-A2 HYDROXYALKYL SUBSTITUTED IMIDAZOQUINOLINE COMPOUNDS AND METHODS COLEY PHARMACEUTICAL GROUP, INC. (US) 2006-08-31 WO claimed
EP-1850849-A2 METHOD OF PREFERENTIALLY INDUCING THE BIOSYNTHESIS OF INTERFERON Coley Pharmaceutical Group, Inc. (US) 2007-11-07 EP disclosed
EP-1851218-A2 HYDROXYALKYL SUBSTITUTED IMIDAZOQUINOLINE COMPOUNDS AND METHODS 3M Innovative Properties Company (US) 2007-11-07 EP disclosed
WO-2006091567-A2 HYDROXYALKYL SUBSTITUTED IMIDAZOQUINOLINE COMPOUNDS AND METHODS COLEY PHARMACEUTICAL GROUP, INC. (US) 2006-08-31 WO disclosed
WO-2006091647-A2 METHOD OF PREFERENTIALLY INDUCING THE BIOSYNTHESIS OF INTERFERON COLEY PHARMACEUTICAL GROUP, INC. (US) 2006-08-31 WO disclosed