SCHEMBL4597820

SCHEMBL4597820

COCCCN1CCOc2ccc(CO[C@H]3CN(C(=O)OC(C)OC(=O)C(C)C)C[C@@H](O)[C@@H]3c3ccc(OC)cc3)cc21

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.34
RORC P51449 6/20 0.31
THRB P10828 2/20 0.31
SLC6A4 P31645 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 2/20 0.31
AXL P30530 1/20 0.31
MERTK Q12866 1/20 0.31
LMNA P02545 1/20 0.30
PIK3CD O00329 1/20 0.30
PIK3CA P42336 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
SCHEMBL4582455 0.94 REN (0.35) RENRORC
SCHEMBL4582678 0.92 REN (0.35) RENRORCTHRBSLC6A4HRH3
SCHEMBL14218862 0.92 REN (0.34) RENRORCTHRBSLC6A4HRH3
SCHEMBL4583049 0.90 REN (0.43) RENCYP3A4
SCHEMBL14218865 0.89 REN (0.34) RENHRH3CYP3A4
SCHEMBL4583111 0.89 REN (0.34) RENHRH3CYP3A4
SCHEMBL8469161 0.89 THRB (0.34) RENRORCTHRBSLC6A4HRH3
SCHEMBL4583214 0.88 REN (0.33) RENRORC
SCHEMBL4583210 0.88 REN (0.33) RENRORC
SCHEMBL1039229 0.88 REN (0.38) RENTHRBALDH1A1CYP3A4CYP2D6

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-1908761-A1 Organic compounds Speedel Experimenta AG (CH) 2008-04-09 EP disclosed