SCHEMBL16409778

SCHEMBL16409778

O=C(CCCCCOc1cccc2ccc(=O)[nH]c12)NO

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 19/20 0.53
HDAC2 Q92769 18/20 0.49
HDAC3 O15379 16/20 0.49
HDAC4 P56524 16/20 0.49
HDAC7 Q8WUI4 16/20 0.49
HDAC10 Q969S8 16/20 0.49
HDAC11 Q96DB2 16/20 0.49
HDAC8 Q9BY41 16/20 0.49
HDAC6 Q9UBN7 16/20 0.49
HDAC9 Q9UKV0 16/20 0.49
HDAC5 Q9UQL6 16/20 0.49
BRD4 O60885 1/20 0.43

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
SCHEMBL11278744 0.85 CA12 (0.42) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL11282436 0.80 CYSLTR2 (0.44)
SCHEMBL9820774 0.78 MCHR1 (0.49) HDAC6
SCHEMBL10064553 0.76 MCHR1 (0.48)
SCHEMBL6150497 0.76 HDAC1 (0.52) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL11858914 0.75 HTR1D (0.46)
SCHEMBL16409784 0.74 HDAC1 (0.64) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL16409780 0.73 HDAC1 (0.70) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL1137647 0.73 CA12 (0.43)
SCHEMBL11267353 0.72 POLB (0.40) HDAC1HDAC2HDAC3HDAC4HDAC7

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-2014196328-A1 HYDROXAMIC ACID DERIVATIVE OR SALT THEREOF 日本理化学工業株式会社 (JP) 2014-12-11 WO disclosed