SCHEMBL21476949

SCHEMBL21476949

Nc1ccc(C2=CCCC2)cc1NC(=O)OCC12CC1C2

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 20/20 0.70
HDAC1 Q13547 19/20 0.69
HDAC3 O15379 9/20 0.64

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
SCHEMBL13833344 0.83 HDAC2 (1.00) HDAC2HDAC1HDAC3
SCHEMBL13833338 0.81 HDAC2 (1.00) HDAC2HDAC1HDAC3
SCHEMBL13833331 0.81 HDAC2 (1.00) HDAC2HDAC1HDAC3
SCHEMBL13833415 0.78 HDAC2 (1.00) HDAC2HDAC1HDAC3
SCHEMBL13734951 0.76 HDAC2 (0.70) HDAC2HDAC1HDAC3
SCHEMBL13738771 0.71 HDAC1 (1.00) HDAC2HDAC1HDAC3
SCHEMBL13833416 0.70 HDAC2 (1.00) HDAC2HDAC1HDAC3
SCHEMBL13833310 0.70 HDAC2 (1.00) HDAC2HDAC1HDAC3
SCHEMBL13833379 0.70 HDAC2 (1.00) HDAC2HDAC1HDAC3
SCHEMBL13737011 0.70 HDAC2 (1.00) HDAC2HDAC1HDAC3

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-2701699-B1 INHIBITORS OF HISTONE DEACETYLASE BROAD INST INC (US) 2019-10-16 EP disclosed