SCHEMBL4582363

SCHEMBL4582363

COCCCN1CCOc2ccc(CO[C@H]3CN(C(=O)OCc4ccccc4)C[C@@H](OC[C@H]4CO4)[C@@H]3c3ccc(COCCOC)cc3)cc21

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
REN P00797 9/20 0.35
TMEM97 Q5BJF2 2/20 0.33
SIGMAR1 Q99720 2/20 0.33
PDE4B Q07343 1/20 0.33
PREP P48147 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
UTS2R Q9UKP6 1/20 0.31
KLK7 P49862 1/20 0.31
KLK5 Q9Y337 1/20 0.31
MKNK2 Q9HBH9 1/20 0.31
TSHR P16473 1/20 0.31
TRPV4 Q9HBA0 1/20 0.30
DRD2 P14416 1/20 0.30
DRD4 P21917 1/20 0.30
DRD3 P35462 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
SCHEMBL3908978 0.94 MMP9 (0.35) RENTMEM97SIGMAR1PDE4BPREP
SCHEMBL1039332 0.94 MMP9 (0.35) RENTMEM97SIGMAR1PDE4BPREP
SCHEMBL4582987 0.93 REN (0.37) RENTMEM97SIGMAR1PDE4BKLK7
SCHEMBL2683065 0.92 REN (0.36) REN
SCHEMBL4582330 0.91 REN (0.36) RENTMEM97SIGMAR1PDE4BMEN1
SCHEMBL4592921 0.89 REN (0.34) RENTMEM97SIGMAR1PDE4BMEN1
SCHEMBL2343571 0.89 MMP9 (0.37) RENPDE4BMEN1KMT2ANPSR1
SCHEMBL2341075 0.87 MMP9 (0.36) RENPDE4BMKNK2TSHR
SCHEMBL1040324 0.85 MMP9 (0.36) RENTMEM97SIGMAR1PDE4B
SCHEMBL2335814 0.85 MMP9 (0.36) 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