SCHEMBL4592794

SCHEMBL4592794

COCCCN1CCOc2ccc(CO[C@H]3CN(C(=O)OCc4ccccc4)C[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]3c3ccc(CCl)cc3)cc21

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.34
TMEM97 Q5BJF2 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
GPBAR1 Q8TDU6 1/20 0.31
PDE4B Q07343 1/20 0.31
UTS2R Q9UKP6 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
MKNK2 Q9HBH9 2/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL2334830 1.00 REN (0.34) RENTMEM97SIGMAR1GPBAR1PDE4B
SCHEMBL3272138 0.95 REN (0.35) RENTMEM97SIGMAR1PDE4BMKNK2
SCHEMBL4582802 0.95 REN (0.35) RENTMEM97SIGMAR1PDE4BMKNK2
SCHEMBL4592680 0.94 REN (0.35) RENTMEM97SIGMAR1PDE4BMKNK2
SCHEMBL2340320 0.94 REN (0.35) RENTMEM97SIGMAR1PDE4BMKNK2
SCHEMBL4592921 0.94 REN (0.34) RENTMEM97SIGMAR1PDE4BMKNK2
SCHEMBL2338242 0.94 BMP1 (0.35) RENPDE4B
SCHEMBL3268517 0.93 REN (0.34) RENTMEM97SIGMAR1PDE4B
SCHEMBL1037839 0.93 REN (0.36) RENMKNK2
SCHEMBL2341326 0.93 REN (0.34) RENTMEM97SIGMAR1PDE4B

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