SCHEMBL6623905

SCHEMBL6623905

CCO[C@@H]1CN(OC(=O)OC(C)(C)C)C[C@H](O)[C@H]1c1ccc(OCCCOCc2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
REN P00797 10/20 0.46
L3MBTL1 Q9Y468 3/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
PDE4B Q07343 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL7082878 0.93 REN (0.50) RENL3MBTL1
SCHEMBL6957567 0.92 REN (0.45) RENL3MBTL1KDM4EALDH1A1LMNA
SCHEMBL6959373 0.92 REN (0.51) RENL3MBTL1
SCHEMBL6955160 0.91 REN (0.50) RENL3MBTL1
SCHEMBL6960190 0.90 REN (0.49) RENL3MBTL1
SCHEMBL6956522 0.90 REN (0.49) RENL3MBTL1
SCHEMBL7077322 0.89 REN (0.62) REN
SCHEMBL6954209 0.89 REN (0.48) REN
SCHEMBL6960734 0.89 REN (0.50) RENL3MBTL1
SCHEMBL6956038 0.89 REN (0.48) RENL3MBTL1PDE4B

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-0979824-B1 Process for the preparation of substituted piperidine-epoxides HOFFMANN LA ROCHE (CH) 2004-10-06 EP claimed