SCHEMBL2225762

SCHEMBL2225762

O=C(CCCCCCNC(=O)c1ccc(CC(O)c2ccc(F)cc2)cc1)NO

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 18/20 0.66
HDAC1 Q13547 5/20 0.62
HDAC3 O15379 4/20 0.58
HDAC4 P56524 4/20 0.58
HDAC7 Q8WUI4 4/20 0.58
HDAC2 Q92769 4/20 0.58
HDAC10 Q969S8 4/20 0.58
HDAC11 Q96DB2 4/20 0.58
HDAC8 Q9BY41 4/20 0.58
HDAC9 Q9UKV0 4/20 0.58
HDAC5 Q9UQL6 4/20 0.58
KDM1A O60341 1/20 0.58

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
SCHEMBL2227933 0.86 HDAC6 (0.64) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL2225757 0.84 HDAC6 (0.69) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL2227929 0.82 HDAC6 (0.61) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL2227930 0.80 HDAC6 (0.68) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL2224925 0.80 HDAC6 (1.00) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL2225157 0.79 HDAC6 (0.66) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL2225098 0.78 HDAC6 (0.62) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL1233707 0.78 HDAC6 (0.72) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL19599203 0.78 HDAC6 (0.69) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL6879365 0.78 HDAC6 (1.00) HDAC6HDAC1

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-2011091213-A2 REVERSE AMIDE COMPOUNDS AS PROTEIN DEACETYLASE INHIBITORS AND METHODS OF USE THEREOF ACETYLON PHARMACEUTICALS (US) 2011-07-28 WO claimed