SCHEMBL6264231

SCHEMBL6264231

CCCCCCCCC(=O)Nc1ccc(C(=O)NCCN(CC)CC)cc1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.84
HDAC4 P56524 2/20 0.84
HDAC1 Q13547 2/20 0.84
HDAC7 Q8WUI4 2/20 0.84
HDAC2 Q92769 2/20 0.84
HDAC10 Q969S8 2/20 0.84
HDAC11 Q96DB2 2/20 0.84
HDAC8 Q9BY41 2/20 0.84
HDAC6 Q9UBN7 2/20 0.84
HDAC9 Q9UKV0 2/20 0.84
HDAC5 Q9UQL6 2/20 0.84
ALDH1A1 P00352 2/20 0.67
NFKB1 P19838 1/20 0.67
KCNH2 Q12809 1/20 0.67
POLB P06746 2/20 0.65
THRB P10828 2/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
BLM P54132 2/20 0.65
CYP3A4 P08684 1/20 0.65
ATM Q13315 1/20 0.65

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
SCHEMBL6244511 0.95 HDAC3 (0.80) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28576108 0.90 HDAC3 (0.76) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11711669 0.84 SMN1; SMN2 (0.65) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1230694 0.84 ALDH1A1 (0.77) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL25372020 0.82 MAPK1 (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11717754 0.82 MAPK1 (0.67) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL25431825 0.82 MAPK1 (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11715652 0.82 MAPK1 (0.67) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11713498 0.82 MAPK1 (0.67) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11721310 0.82 MAPK1 (0.67) HDAC3HDAC4HDAC1HDAC7HDAC2

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-2005025498-A2 SUBSTITUTED ACETANILIDES AND BENZAMIDES FOR THE TREATMENT OF ASTHMA AND PULMONARY INFLAMMATION CORUS PHARMA (US) 2005-03-24 WO disclosed