SCHEMBL8425754

SCHEMBL8425754

CCOC(=O)NCCCCCc1ccc2ccccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.53
HDAC8 Q9BY41 2/20 0.53
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52
NCOR2 Q9Y618 1/20 0.52
GLA P06280 1/20 0.51
KMT2A Q03164 1/20 0.51
CES2 O00748 1/20 0.51
ASAH1 Q13510 1/20 0.49
CYP1A2 P05177 1/20 0.49
BCHE P06276 1/20 0.47
ACHE P22303 1/20 0.47
EPHX1 P07099 1/20 0.47

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
SCHEMBL793712 0.89 KMT2A (0.63) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL15238210 0.84 HDAC3 (0.71) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL15238211 0.84 HDAC3 (0.71) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL15238227 0.84 HDAC3 (0.71) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL31036028 0.83 HDAC1 (0.60) HDAC1HDAC8ASAH1CYP1A2EPHX1
SCHEMBL31036034 0.83 HDAC1 (0.60) HDAC1HDAC8ASAH1CYP1A2EPHX1
SCHEMBL10658849 0.82 HDAC3 (0.72) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL10110752 0.81 HTT (0.54) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL7831694 0.80 HDAC1 (0.60) HDAC1HDAC8CYP1A2
SCHEMBL8422184 0.79 HDAC1 (0.58) HDAC1HDAC8CYP1A2

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-0949238-A1 SUBSTITUTED PROPIONYL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1999-10-13 EP disclosed