SCHEMBL256931

SCHEMBL256931

CC(=O)NC(C)Cc1ccc(-c2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ACACB O00763 19/20 0.77

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
SCHEMBL12001246 1.00 ACACB (0.77) ACACB
SCHEMBL175483 0.87 ACACB (1.00) ACACB
SCHEMBL256505 0.87 ACACB (1.00) ACACB
SCHEMBL255701 0.83 ACACB (0.65) ACACB
SCHEMBL12001223 0.83 ACACB (0.75) ACACB
SCHEMBL12001230 0.83 ACACB (0.83) ACACB
SCHEMBL12001232 0.83 ACACB (0.75) ACACB
SCHEMBL12001412 0.82 ACACB (0.80) ACACB
SCHEMBL12001188 0.81 ACACB (0.76) ACACB
SCHEMBL12001067 0.81 ACACB (0.76) 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