SCHEMBL256796

SCHEMBL256796

CCOc1ccc(-c2ccc(CC(C)NC(=O)OC(C)(C)C)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ACACB O00763 20/20 0.62

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
SCHEMBL166971 0.90 ACACB (0.78) ACACB
SCHEMBL12001475 0.87 ACACB (0.81) ACACB
SCHEMBL15764483 0.86 ACACB (0.62) ACACB
SCHEMBL14884499 0.84 CTSS (0.65) ACACB
SCHEMBL8732422 0.84 HDAC8 (0.53) ACACB
SCHEMBL8732428 0.84 HDAC8 (0.53) ACACB
SCHEMBL12001479 0.83 ACACB (0.80) ACACB
SCHEMBL12203612 0.83 ACACB (0.58) ACACB
SCHEMBL8732751 0.83 ACACB (0.58) ACACB
SCHEMBL255808 0.83 ACACB (0.80) ACACB

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-2012028676-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-08 WO disclosed