SCHEMBL14404136

SCHEMBL14404136

N=C(CCCCCCC(=O)NO)c1ccco1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 14/20 0.54
HDAC2 Q92769 9/20 0.54
ALOX5 P09917 1/20 0.54
HDAC8 Q9BY41 11/20 0.49
HDAC3 O15379 6/20 0.49
NCOR2 Q9Y618 5/20 0.49
HDAC6 Q9UBN7 5/20 0.49
HDAC11 Q96DB2 3/20 0.49
HDAC10 Q969S8 2/20 0.49
HDAC5 Q9UQL6 3/20 0.49
GAA P10253 1/20 0.48
HDAC4 P56524 2/20 0.46
HDAC7 Q8WUI4 2/20 0.46
HDAC9 Q9UKV0 2/20 0.46
ALDH1A1 P00352 1/20 0.46
PKM P14618 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 1/20 0.46
BRD4 O60885 1/20 0.46
NCOR1 O75376 1/20 0.46

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
SCHEMBL3380702 0.84 HDAC1 (0.57) HDAC1HDAC2ALOX5HDAC8HDAC3
SCHEMBL1233157 0.79 SMN1; SMN2 (0.77) HDAC1HDAC2HDAC8HDAC3NCOR2
SCHEMBL3382041 0.79 HDAC8 (0.56) HDAC1HDAC2ALOX5HDAC8HDAC3
SCHEMBL3382039 0.79 HDAC8 (0.56) HDAC1HDAC2ALOX5HDAC8HDAC3
SCHEMBL12889791 0.75 HDAC1 (0.57) HDAC1HDAC2ALOX5HDAC8HDAC3
SCHEMBL14404135 0.74 HDAC1 (0.70) HDAC1HDAC2ALOX5HDAC8HDAC3
SCHEMBL24480027 0.71 HDAC1 (0.56) HDAC1HDAC2ALOX5HDAC8HDAC3
SCHEMBL3844327 0.70 HDAC1 (1.00) HDAC1HDAC2ALOX5HDAC8HDAC3
SCHEMBL22190384 0.70 HDAC1 (1.00) HDAC1HDAC2ALOX5HDAC8HDAC3
SCHEMBL8610138 0.70 HDAC1 (1.00) HDAC1HDAC2ALOX5HDAC8HDAC3

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-7288567-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2007-10-30 US disclosed