SCHEMBL13065111

SCHEMBL13065111

C=c1c(=O)oc(-c2cc(-c3ccc[nH]c3=O)cc(C(C)(C)C)c2OC)c/c1=C/C=C(\C)NS(C)(=O)=O

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.49
CRBN Q96SW2 1/20 0.31

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
SCHEMBL13065110 0.88 CYP3A4 (0.44) CYP3A4
SCHEMBL3406008 0.75 CYP3A4 (0.59) CYP3A4CRBN
SCHEMBL847054 0.72 CYP3A4 (0.59) CYP3A4CRBN
SCHEMBL860732 0.72 PTGES (0.48) CYP3A4
SCHEMBL13030226 0.70 CYP3A4 (0.47) CYP3A4CRBN
SCHEMBL482606 0.70 CYP3A4 (0.65) CYP3A4CRBN
SCHEMBL2127662 0.67 CYP3A4 (0.74) CYP3A4CRBN
SCHEMBL2127657 0.67 CYP3A4 (0.74) CYP3A4CRBN
SCHEMBL2127652 0.67 CYP3A4 (0.74) CYP3A4CRBN
SCHEMBL2128925 0.67 CYP3A4 (0.54) CYP3A4

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-2010133528-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-11-25 WO disclosed