SCHEMBL4583099

SCHEMBL4583099

COCCCN1CCOc2ccc(CO[C@H]3CN(S(=O)(=O)c4ccc(C)cc4)[C@@](C)(O[Si](C(C)C)(C(C)C)C(C)C)C[C@@H]3c3ccc(CO)cc3)cc21

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.33
KMT2A Q03164 1/20 0.33
REN P00797 1/20 0.32
RORC P51449 6/20 0.32
POLB P06746 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
SCHEMBL2683799 0.84 KMT2A (0.35) CYP2C9KMT2ARENRORCPOLB
SCHEMBL2683870 0.84 KMT2A (0.35) CYP2C9KMT2ARENRORCPOLB
SCHEMBL5505093 0.84 CYP2C9 (0.33) CYP2C9KMT2ARENRORCPOLB
SCHEMBL1041031 0.84 CYP2C9 (0.33) CYP2C9KMT2ARENRORCPOLB
SCHEMBL1040805 0.83 TSHR (0.37) CYP2C9KMT2ARENPOLB
SCHEMBL4532096 0.82 TSHR (0.38) CYP2C9KMT2APOLB
SCHEMBL1041032 0.80 KMT2A (0.33) CYP2C9KMT2ARENRORCPOLB
SCHEMBL2683813 0.79 KMT2A (0.36) CYP2C9KMT2ARENRORCPOLB
SCHEMBL4959527 0.79 REN (0.32) CYP2C9KMT2ARENRORC
SCHEMBL2685056 0.78 REN (0.38) CYP2C9KMT2ARENRORCPOLB

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-1908762-A2 Organic compounds Speedel Experimenta AG (CH) 2008-04-09 EP disclosed