SCHEMBL15519210

SCHEMBL15519210

C=C[C@H]1CC(=O)N(C(=O)OC(C)(C)C)[C@@H]1C(O[SiH2]C(C)(C)C)(c1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.38
KLK7 P49862 6/20 0.33
GPR119 Q8TDV5 1/20 0.33
RORC P51449 1/20 0.32
KCNA3 P22001 1/20 0.32
KLK5 Q9Y337 5/20 0.31
KDM4E B2RXH2 1/20 0.30
PKM P14618 1/20 0.30
SCN9A Q15858 1/20 0.30
PRSS1 P07477 2/20 0.30
PRSS2 P07478 2/20 0.30
PRSS3 P35030 2/20 0.30
GSK3B P49841 1/20 0.30
ITGB1 P05556 1/20 0.30
ITGA5 P08648 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
SCHEMBL4555040 0.82 GPR119 (0.37) GPR119KCNA3KDM4EPKM
SCHEMBL4555170 0.77 GPR119 (0.37) KLK7GPR119RORCKLK5KDM4E
SCHEMBL6481828 0.71 KLK7 (0.37) RIPK1KLK7GPR119RORCKLK5
SCHEMBL353105 0.71 KLK7 (0.44) RIPK1KLK7KLK5PRSS1PRSS2
SCHEMBL352415 0.69 CHRM2 (0.35) KLK7KDM4E
SCHEMBL1149816 0.67 RIPK1 (0.38) RIPK1KLK7GPR119KLK5KDM4E
SCHEMBL31526834 0.67 RIPK1 (0.37) RIPK1KLK7GPR119KLK5KDM4E
SCHEMBL1149818 0.67 RIPK1 (0.37) RIPK1KLK7GPR119KLK5KDM4E
SCHEMBL11917902 0.67 CHRM2 (0.34) RIPK1KDM4E
SCHEMBL248353 0.66 RIPK1 (0.61) RIPK1KLK7GPR119RORC

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-2094711-B1 STRUCTURAL MIMETICS OF PROLINE-RICH PEPTIDES AND THE PHARMACEUTICAL USE THEREOF FORSCHUNGSVERBUND BERLIN EV (DE) 2014-03-19 EP disclosed