SCHEMBL7868061

SCHEMBL7868061

CC(O)c1ccc2c(c1)cc(C(=O)N1CCc3ccc(C(=O)NO)cc3CC1)n2C

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 14/20 0.57
▸ HDAC8 Q9BY41 5/20 0.51
▸ HDAC3 O15379 2/20 0.51
▸ HDAC1 Q13547 2/20 0.51
▸ QRFPR Q96P65 5/20 0.46
▸ KCNH2 Q12809 3/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ KCNE1 P15382 1/20 0.44
▸ SCN5A Q14524 1/20 0.44
▸ HDAC2 Q92769 1/20 0.40
▸ PHGDH O43175 1/20 0.39

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
SCHEMBL12895882 0.83 HDAC6 (0.58) HDAC6HDAC8HDAC3HDAC1QRFPR
SCHEMBL7867739 0.81 HDAC6 (0.41) HDAC6HDAC8HDAC3HDAC1QRFPR
SCHEMBL7865255 0.80 HDAC6 (0.40) HDAC6HDAC8HDAC3HDAC1QRFPR
SCHEMBL7796723 0.80 HDAC6 (0.59) HDAC6HDAC8HDAC3HDAC1QRFPR
SCHEMBL7795333 0.80 HDAC6 (0.59) HDAC6QRFPRKCNH2CYP2D6KCNE1
SCHEMBL1264321 0.73 HDAC6 (1.00) HDAC6HDAC8HDAC3HDAC1HDAC2
SCHEMBL7868699 0.72 HDAC6 (0.61) HDAC6HDAC8HDAC3HDAC1
SCHEMBL12895832 0.71 HDAC6 (0.73) HDAC6HDAC8HDAC3HDAC1
SCHEMBL1263507 0.69 HDAC6 (0.52) HDAC6HDAC8HDAC3HDAC1HDAC2
SCHEMBL722256 0.68 HDAC6 (1.00) HDAC6HDAC8HDAC3HDAC1HDAC2

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-2010151318-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-12-29 — — WO disclosed
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