SCHEMBL8261900

SCHEMBL8261900

CC(C)(C)NC(=O)O[C@H](C(=O)O)C(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.32
SCN9A Q15858 1/20 0.30
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL14283011 1.00 POLB (0.32) POLBSCN9AMEN1GAAKMT2A
SCHEMBL28889722 0.80 SCN9A (0.32) POLBSCN9A
SCHEMBL3216743 0.79 POLB (0.33) POLB
SCHEMBL3216751 0.79 POLB (0.33) POLB
SCHEMBL27823739 0.79 HIF1A (0.32)
SCHEMBL28531059 0.73 POLB (0.35) POLB
SCHEMBL28407299 0.73 KMT2A (0.37) GAAKMT2A
SCHEMBL15284985 0.73 TSHR (0.42) GAA
SCHEMBL7808415 0.73 TSHR (0.42) POLBMEN1GAAKMT2A
SCHEMBL15284981 0.73 TSHR (0.42) GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1863793-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-07-04 EP disclosed
US-7323447-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-29 US disclosed
US-7323447-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-29 US disclosed
WO-2006086381-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-08-17 WO disclosed