SCHEMBL4592680

SCHEMBL4592680

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(CO)cc3)cc21

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.35
KMT2A Q03164 2/20 0.31
TMEM97 Q5BJF2 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
ALDH1A1 P00352 2/20 0.31
PDE4B Q07343 1/20 0.31
MEN1 O00255 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
MKNK2 Q9HBH9 1/20 0.30
GRM5 P41594 1/20 0.30
TSHR P16473 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
SCHEMBL2340320 1.00 REN (0.35) RENKMT2ATMEM97SIGMAR1ALDH1A1
SCHEMBL3272138 0.95 REN (0.35) RENKMT2ATMEM97SIGMAR1PDE4B
SCHEMBL4582802 0.95 REN (0.35) RENKMT2ATMEM97SIGMAR1PDE4B
SCHEMBL2338242 0.94 BMP1 (0.35) RENPDE4BGRM5
SCHEMBL4592794 0.94 REN (0.34) RENKMT2ATMEM97SIGMAR1PDE4B
SCHEMBL2334830 0.94 REN (0.34) RENKMT2ATMEM97SIGMAR1PDE4B
SCHEMBL4592921 0.94 REN (0.34) RENKMT2ATMEM97SIGMAR1PDE4B
SCHEMBL3268517 0.94 REN (0.34) RENTMEM97SIGMAR1PDE4BGRM5
SCHEMBL1037839 0.94 REN (0.36) RENALDH1A1KDM4EMKNK2GRM5
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