SCHEMBL16153101

SCHEMBL16153101

CC(C)(C)C(=O)Oc1ccc2c(c1)Oc1cc(OC(=O)C(C)(C)C)ccc1C21OCCc2cc(C(=O)NCCCCCC(=O)NCCOCCOCCCCCCCl)ccc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 4/20 0.33
▸ HDAC3 O15379 4/20 0.33
▸ HDAC1 Q13547 4/20 0.33
▸ HDAC4 P56524 3/20 0.33
▸ HDAC2 Q92769 3/20 0.33
▸ HDAC8 Q9BY41 3/20 0.33
▸ HDAC9 Q9UKV0 3/20 0.33
▸ HPGD P15428 3/20 0.33
▸ KCNH2 Q12809 2/20 0.33
▸ HDAC7 Q8WUI4 1/20 0.33
▸ HDAC10 Q969S8 1/20 0.33
▸ HDAC11 Q96DB2 1/20 0.33
▸ HDAC5 Q9UQL6 1/20 0.33
▸ DRD2 P14416 1/20 0.32
▸ DRD3 P35462 1/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31

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
SCHEMBL4437789 0.89 HPGD (0.40) HDAC6HDAC3HDAC1HDAC4HDAC2
SCHEMBL4403236 0.85 GSTP1 (0.45) HDAC6KCNH2KMT2AMEN1ALDH1A1
SCHEMBL4403233 0.85 GSTP1 (0.41) HDAC6KCNH2KMT2AMEN1ALDH1A1
SCHEMBL12671652 0.85 HDAC6 (0.33) HDAC6HDAC3HDAC1HDAC4HDAC2
SCHEMBL15976894 0.84 HDAC3 (0.33) HDAC6HDAC3HDAC1HDAC4HDAC2
SCHEMBL16503905 0.83 LMNA (0.33) HDAC6HDAC3HDAC1HDAC4HDAC2
SCHEMBL13193883 0.83 GSTP1 (0.43) HDAC6KCNH2KMT2AMEN1ALDH1A1
SCHEMBL13881238 0.82 GSTP1 (0.46) HDAC6HPGDKCNH2KMT2AMEN1
SCHEMBL12018901 0.82 HDAC6 (0.34) HDAC6HDAC3HDAC1HDAC4HDAC2
SCHEMBL14330482 0.82 HDAC3 (0.33) HDAC6HDAC3HDAC1HDAC4HDAC2

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
EP-1782071-B1 COVALENT TETHERING OF FUNCTIONAL GROUPS TO PROTEINS AND SUBSTRATES THEREFOR PROMEGA CORP (US) 2014-10-08 — — EP disclosed
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