SCHEMBL1548032

SCHEMBL1548032

CC(CCc1ccc(Oc2ccc(OC(C)C)nc2)cc1)NC(N)=O.CC(N)CCc1ccc(Oc2ccc(OC(C)C)nc2)cc1

nearest known ligand 0.92

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACACB O00763 20/20 0.92
ACACA Q13085 14/20 0.92

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
SCHEMBL2167423 0.96 ACACB (1.00) ACACBACACA
SCHEMBL2167180 0.87 ACACB (0.68) ACACBACACA
Trifluoroacetic Acid SCHEMBL3706517 0.87 ACACB (0.69) ACACBACACA
SCHEMBL1547562 0.86 ACACB (1.00) ACACBACACA
SCHEMBL1547553 0.86 ACACB (1.00) ACACBACACA
SCHEMBL1547144 0.86 ACACB (1.00) ACACBACACA
SCHEMBL15048459 0.86 ACACB (0.83) ACACBACACA
SCHEMBL12473716 0.85 ACACB (1.00) ACACBACACA
SCHEMBL1547305 0.84 ACACB (1.00) ACACBACACA
Trifluoroacetic Acid SCHEMBL1547555 0.83 ACACB (0.64) ACACBACACA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2310372-A2 HETEROCYCLIC COMPOUNDS, PROCESSES FOR THEIR PREPARATION, MEDICAMENTS COMPRISING THESE COMPOUNDS, AND THE USE THEREOF Sanofi-Aventis (FR) 2011-04-20 EP disclosed
WO-2010003624-A2 HETEROCYCLIC COMPOUNDS, PROCESSES FOR THEIR PREPARATION, MEDICAMENTS COMPRISING THESE COMPOUNDS, AND THE USE THEREOF SANOFI-AVENTIS (FR) 2010-01-14 WO disclosed