SCHEMBL21236780

SCHEMBL21236780

CCCC(C)(C)C(=O)C1c2ccccc2-c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
ALDH1A1 P00352 2/20 0.42
HBB P68871 1/20 0.42
HSD17B10 Q99714 1/20 0.42
POLB P06746 3/20 0.39
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
ELANE P08246 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PKM P14618 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL21172113 0.86 HDAC3 (0.46) HDAC3HDAC4HDAC7HDAC8HDAC6
SCHEMBL409869 0.78 ALDH1A1 (0.66) HDAC3HDAC4HDAC7HDAC8HDAC6
SCHEMBL21187928 0.74 KMT2A (0.46) POLBKMT2AELANECYP1A2
SCHEMBL18993484 0.72 HDAC3 (0.46) HDAC3HDAC4HDAC7HDAC8HDAC6
SCHEMBL462670 0.72 HDAC3 (0.53) HDAC3HDAC4HDAC7HDAC8HDAC6
SCHEMBL18748394 0.71 HDAC3 (0.52) HDAC3HDAC4HDAC7HDAC8HDAC6
SCHEMBL28442493 0.69 CES1 (0.47) POLBKMT2AMEN1ELANETDP1
SCHEMBL4912246 0.68 CES2 (0.45) HDAC3HDAC4HDAC7HDAC8HDAC6
SCHEMBL6649148 0.68 HDAC3 (0.58) HDAC3HDAC4HDAC7HDAC8HDAC6
SCHEMBL5075256 0.68 TDP1 (0.43) ALDH1A1POLBKMT2AMEN1ELANE

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
US-20190241890-A1 METHODS AND COMPOSITIONS FOR MANIPULATING TRANSLATION OF PROTEIN ISOFORMS FROM ALTERNATIVE INITIATION START SITES SAREPTA THERAPEUTICS INC (US) 2019-08-08 US disclosed