SCHEMBL4615191

SCHEMBL4615191

C=CC1CC1(NC(=O)OC(C)(C)C)C(O)C(=O)NC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 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
SCHEMBL13330959 1.00 MEN1 (0.34) MEN1MAPK1KMT2AHDAC4HDAC1
SCHEMBL8247730 0.87 MEN1 (0.35) MEN1MAPK1KMT2AHDAC4HDAC1
SCHEMBL13360949 0.81 MEN1 (0.37) MEN1MAPK1KMT2AHDAC4HDAC1
SCHEMBL13629869 0.79 SMN1; SMN2 (0.34) MEN1MAPK1KMT2AHDAC4HDAC1
SCHEMBL7917188 0.72 MEN1 (0.36) MEN1MAPK1KMT2AHDAC4HDAC1
SCHEMBL6886964 0.72 MEN1 (0.36) MEN1MAPK1KMT2AHDAC4HDAC1
SCHEMBL16062006 0.71 MEN1 (0.38) MEN1MAPK1KMT2ANFKB1NFKB2
SCHEMBL6884524 0.71 MEN1 (0.35) MEN1MAPK1KMT2AHDAC4HDAC1
SCHEMBL24981405 0.71 MEN1 (0.39) MEN1MAPK1KMT2AHDAC4HDAC1
SCHEMBL13924261 0.71 MEN1 (0.39) MEN1MAPK1KMT2AHDAC4HDAC1

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
EP-1881002-A1 HCV NS-3 serine protease inhibitors Tibotec Pharmaceuticals Ltd. (IE) 2008-01-23 EP disclosed