SCHEMBL9752448

SCHEMBL9752448

CC=CCC1(OC(=O)OC(C)(C)C)OO1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.36
CTSK P43235 2/20 0.36
HDAC1 Q13547 2/20 0.32
HDAC2 Q92769 2/20 0.32
HDAC3 O15379 1/20 0.32
HDAC8 Q9BY41 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
SCHEMBL9752492 0.81 HDAC6 (0.30) HDAC6
SCHEMBL8973464 0.77 HDAC6 (0.32) HDAC6HDAC1HDAC2
SCHEMBL9752489 0.72 HDAC6 (0.32) HDAC6
SCHEMBL9752548 0.70 ALDH1A1 (0.36) HDAC6HDAC1HDAC2HDAC3HDAC8
SCHEMBL3296089 0.69 SPHK1 (0.33) HDAC6CTSKHDAC1HDAC2
SCHEMBL6016032 0.67 HDAC6 (0.41) HDAC6CTSKHDAC1HDAC2HDAC3
SCHEMBL6016036 0.67 HDAC6 (0.41) HDAC6CTSKHDAC1HDAC2HDAC3
SCHEMBL1794629 0.65 ELANE (0.30)
SCHEMBL18550208 0.63
SCHEMBL10892187 0.62 CTSK (0.43) HDAC6CTSKHDAC1HDAC2HDAC3

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-1991000300-A1 (CO)POLYMER MODIFICATION EMPLOYING UNSATURATED t-ALKYL PEROXY ALKENES AKZO N.V. (NL) 1991-01-10 WO disclosed