SCHEMBL4582678

SCHEMBL4582678

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

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.35
THRB P10828 4/20 0.34
MAPT P10636 2/20 0.34
RORC P51449 5/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C19 P33261 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP2D6 P10635 1/20 0.33
EDNRB P24530 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 2/20 0.32
SLC6A4 P31645 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
PIK3CD O00329 1/20 0.31
PIK3CA P42336 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
SCHEMBL4597820 0.92 REN (0.34) RENTHRBMAPTRORCCYP3A4
SCHEMBL1039229 0.90 REN (0.38) RENTHRBMAPTCYP3A4CYP2C19
SCHEMBL14218862 0.90 REN (0.34) RENTHRBMAPTRORCCYP3A4
SCHEMBL4582049 0.90 REN (0.37) RENTHRBMAPTRORCCYP3A4
SCHEMBL14218863 0.90 REN (0.37) RENTHRBMAPTRORCCYP3A4
SCHEMBL4582051 0.90 REN (0.37) RENTHRBMAPTRORCCYP3A4
SCHEMBL1038353 0.90 AXL (0.40) RENTHRBMAPTCYP3A4CYP2C19
SCHEMBL4582501 0.89 REN (0.37) RENTHRBMAPTRORCCYP3A4
SCHEMBL8471522 0.89 REN (0.37) RENTHRBMAPTRORCCYP3A4
SCHEMBL4582496 0.89 REN (0.37) RENTHRBMAPTRORCCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1908762-A2 Organic compounds Speedel Experimenta AG (CH) 2008-04-09 EP disclosed
EP-1908761-A1 Organic compounds Speedel Experimenta AG (CH) 2008-04-09 EP disclosed