SCHEMBL20629288

SCHEMBL20629288

CN1CC(=O)CN2CCc3c(c4cc(OCCN5CCCCC5)ccc4n3Cc3ccc(C(=O)NO)cc3)C2C1=O

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 19/20 0.57
▸ HDAC2 Q92769 12/20 0.57
▸ HDAC8 Q9BY41 10/20 0.57
▸ HDAC1 Q13547 10/20 0.51
▸ HDAC3 O15379 7/20 0.51
▸ HDAC10 Q969S8 1/20 0.50

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
SCHEMBL20629341 0.90 HDAC6 (0.60) HDAC6HDAC2HDAC8HDAC1HDAC3
SCHEMBL20629465 0.85 HDAC6 (0.69) HDAC6HDAC2HDAC8HDAC1HDAC3
SCHEMBL20629485 0.84 HDAC6 (0.69) HDAC6HDAC2HDAC8HDAC1HDAC3
Hydrochloric Acid SCHEMBL20605308 0.83 HDAC6 (0.70) HDAC6HDAC2HDAC8HDAC1HDAC3
SCHEMBL20629480 0.79 HDAC6 (0.74) HDAC6HDAC2HDAC8HDAC1HDAC3
Hydrochloric Acid SCHEMBL20605429 0.78 HDAC6 (0.75) HDAC6HDAC2HDAC8HDAC1HDAC3
SCHEMBL20629348 0.77 HDAC6 (0.67) HDAC6HDAC2HDAC8HDAC1HDAC3
SCHEMBL20629290 0.76 HDAC6 (0.58) HDAC6HDAC2HDAC8HDAC1HDAC3
SCHEMBL20635578 0.75 HDAC6 (0.58) HDAC6HDAC2HDAC8HDAC1HDAC3
SCHEMBL20605285 0.73 HDAC6 (0.77) HDAC6HDAC2HDAC8HDAC1HDAC3

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
EP-3424925-A1 NOVEL HDAC6 INHIBITORS, WITH IMPROVED SOLUBILITY AND THEIR USES Universität Regensburg (DE) 2019-01-09 — — EP disclosed
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