SCHEMBL18822147

SCHEMBL18822147

C=C(C)N(C1=CCCC=C1)c1ncc(C(=O)NCCCCCCC(=O)NO)cn1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 20/20 0.53
HDAC3 O15379 2/20 0.52
HDAC1 Q13547 2/20 0.52
HDAC7 Q8WUI4 2/20 0.52
HDAC2 Q92769 2/20 0.52
HDAC8 Q9BY41 2/20 0.52
HDAC4 P56524 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52
NCOR2 Q9Y618 1/20 0.52

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
SCHEMBL21698937 0.81 HDAC6 (0.75) HDAC6HDAC3HDAC1HDAC7HDAC2
SCHEMBL20109699 0.81 HDAC6 (0.63) HDAC6HDAC3HDAC1HDAC7HDAC2
SCHEMBL24488779 0.81 HDAC6 (0.77) HDAC6HDAC3HDAC1HDAC7HDAC2
SCHEMBL21698849 0.79 HDAC6 (0.74) HDAC6HDAC3HDAC1HDAC7HDAC2
SCHEMBL16646754 0.79 HDAC6 (0.76) HDAC6HDAC3HDAC1HDAC7HDAC2
SCHEMBL24727542 0.76 HDAC6 (0.61) HDAC6HDAC3HDAC1HDAC7HDAC2
SCHEMBL16644092 0.72 HDAC6 (0.73) HDAC6HDAC3HDAC1HDAC7HDAC2
SCHEMBL19710836 0.70 HDAC6 (0.69) HDAC6HDAC3HDAC1HDAC7HDAC2
SCHEMBL19710750 0.70 HDAC6 (0.66) HDAC6HDAC3HDAC1HDAC7HDAC2
SCHEMBL2225248 0.70 HDAC6 (1.00) HDAC6HDAC3HDAC1HDAC7HDAC2

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-2017075192-A1 HDAC INHIBITORS FOR THE TREATMENT OF DIABETIC PERIPHERAL NEUROPATHY ACETYLON PHARMACEUTICALS, INC. (US) 2017-05-04 WO disclosed