SCHEMBL5606501

SCHEMBL5606501

CCC(=O)OC(O[N])C(O)CO

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
CYP2C19 P33261 1/20 0.32
RECQL P46063 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL5606421 0.85 MAPT (0.40) MEN1KMT2AMAPTMAPK1
SCHEMBL7202451 0.82 MEN1 (0.33) MEN1CYP2C19RECQLKMT2AMAPT
SCHEMBL4623515 0.81 MEN1 (0.32) MEN1CYP2C19RECQLKMT2AMAPT
SCHEMBL6202715 0.81 MEN1 (0.32) MEN1CYP2C19RECQLKMT2AMAPT
SCHEMBL6203685 0.79 MEN1 (0.31) MEN1CYP2C19RECQLKMT2AMAPT
SCHEMBL2587108 0.78 MEN1 (0.30) MEN1CYP2C19RECQLKMT2A
SCHEMBL6204830 0.78 MAPT (0.36) MEN1CYP2C19RECQLKMT2AMAPT
SCHEMBL4620475 0.78 MEN1 (0.30) MEN1CYP2C19RECQLKMT2A
SCHEMBL9394581 0.78 MEN1 (0.30) MEN1CYP2C19RECQLKMT2A
SCHEMBL6204104 0.77 MAPT (0.35) MAPTMAPK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1831145-A1 SUBSTITUTED OXYARENES Bayer CropScience Aktiengesellschaft (DE) 2007-09-12 EP claimed
WO-2006069685-A1 SUBSTITUTED OXYARENES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2006-07-06 WO claimed
EP-1831145-A1 SUBSTITUTED OXYARENES Bayer CropScience Aktiengesellschaft (DE) 2007-09-12 EP disclosed
WO-2006069685-A1 SUBSTITUTED OXYARENES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2006-07-06 WO disclosed