SCHEMBL1673987

SCHEMBL1673987

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

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
BTK Q06187 1/20 0.33
KDM4E B2RXH2 1/20 0.31
MAPT P10636 2/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
GAA P10253 1/20 0.30
EPHX2 P34913 1/20 0.30
CACNA1H O95180 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
SCHEMBL6050963 0.90 MEN1 (0.38) MEN1MAPK1KMT2ABTKMAPT
SCHEMBL31287272 0.90 MEN1 (0.38) MEN1MAPK1KMT2ABTKMAPT
SCHEMBL8002198 0.90 MEN1 (0.38) MEN1MAPK1KMT2ABTKMAPT
SCHEMBL12530114 0.90 MEN1 (0.38) MEN1MAPK1KMT2ABTKMAPT
SCHEMBL1537645 0.90 MEN1 (0.38) MEN1MAPK1KMT2ABTKMAPT
SCHEMBL380051 0.90 MEN1 (0.38) MEN1MAPK1KMT2ABTKMAPT
SCHEMBL2617514 0.90 MEN1 (0.38) MEN1MAPK1KMT2ABTKMAPT
SCHEMBL2617503 0.90 MEN1 (0.38) MEN1MAPK1KMT2ABTKMAPT
SCHEMBL12772356 0.90 MEN1 (0.38) MEN1MAPK1KMT2ABTKMAPT
SCHEMBL312680 0.90 MEN1 (0.38) MEN1MAPK1KMT2ABTKMAPT

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
WO-2012048235-A1 VITAMIN E FORMULATIONS OF SULFAMIDE NS3 INHIBITORS NOVARTIS AG (CH) 2012-04-12 WO disclosed
WO-2012045280-A1 SALTS AND POLYMORPHS OF SULFAMIDE NS3 INHIBITORS NOVARTIS AG (CH) 2012-04-12 WO disclosed
WO-2010116248-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2010-10-14 WO disclosed
WO-2007121125-A2 HCV INHIBITORS NOVARTIS AG (CH) 2007-10-25 WO disclosed