SCHEMBL18018745

SCHEMBL18018745

C=C[C@H]1C[C@@]1(NC(=O)OC(C)(C)C)C(=O)NS(=O)(=O)C1CC1

nearest known ligand 0.52

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.43

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
SCHEMBL1462105 1.00 CYP3A4 (0.43) CYP3A4
SCHEMBL7992855 1.00 CYP3A4 (0.43) CYP3A4
SCHEMBL1881299 1.00 CYP3A4 (0.43) CYP3A4
SCHEMBL1537664 1.00 CYP3A4 (0.43) CYP3A4
SCHEMBL16276693 0.95
SCHEMBL19192762 0.89 CYP3A4 (0.37) CYP3A4
SCHEMBL12055304 0.86 CYP3A4 (0.34) CYP3A4
SCHEMBL12588631 0.86 CYP3A4 (0.35) CYP3A4
SCHEMBL14301676 0.85 CYP3A4 (0.34) CYP3A4
SCHEMBL8248969 0.84 CFD (0.41)

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-2016127859-A1 COMPOUNDS AS HEPATITIS C INHIBITORS AND USES THEREOF IN MEDICINE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-08-18 WO disclosed