SCHEMBL16409784

SCHEMBL16409784

O=C(CCCCCOc1ccc2ccc(=O)[nH]c2c1)NO

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 18/20 0.64
HDAC2 Q92769 14/20 0.53
HDAC3 O15379 12/20 0.52
HDAC4 P56524 12/20 0.52
HDAC7 Q8WUI4 12/20 0.52
HDAC10 Q969S8 12/20 0.52
HDAC11 Q96DB2 12/20 0.52
HDAC8 Q9BY41 12/20 0.52
HDAC6 Q9UBN7 12/20 0.52
HDAC9 Q9UKV0 12/20 0.52
HDAC5 Q9UQL6 12/20 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
SCHEMBL16409780 0.91 HDAC1 (0.70) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL30712216 0.84 DRD2 (0.57)
SCHEMBL19732216 0.84 DRD2 (0.57)
SCHEMBL18496117 0.83 PDE3B (0.53)
SCHEMBL20140219 0.80 PDE3B (0.55)
SCHEMBL30712220 0.80 PDE2A (0.53)
SCHEMBL18496133 0.80 PDE2A (0.53)
SCHEMBL10722326 0.79 HDAC1 (1.00) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL10722160 0.79 HDAC1 (1.00) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL14188967 0.79 DRD2 (0.51)

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