SCHEMBL7765376

SCHEMBL7765376

CCOc1cc([C@@]2(C)CN(OC(=O)N[C@H](C)c3cccc4ccccc34)C(=O)O2)ccc1OC

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
PDE4B Q07343 3/20 0.36
PDE4D Q08499 3/20 0.36
PDE4A P27815 2/20 0.36
PDE4C Q08493 2/20 0.36
CASR P41180 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
GPR139 Q6DWJ6 3/20 0.35
EPHX2 P34913 2/20 0.35
KRAS P01116 1/20 0.34
SOS1 Q07889 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
SCHEMBL7763145 1.00 EDNRA (0.41) EDNRAMEN1KMT2AROCK2ROCK1
SCHEMBL7760417 0.95 PDE4B (0.43) EDNRAMEN1KMT2AROCK2ROCK1
SCHEMBL7764572 0.95 PDE4B (0.43) EDNRAMEN1KMT2AROCK2ROCK1
SCHEMBL7763963 0.88 PDE4A (0.40) EDNRAMEN1KMT2APDE4BPDE4D
SCHEMBL7767275 0.88 PDE4A (0.40) EDNRAMEN1KMT2APDE4BPDE4D
SCHEMBL7995956 0.87 MEN1 (0.41) EDNRAMEN1KMT2AROCK2ROCK1
SCHEMBL7995948 0.87 MEN1 (0.41) EDNRAMEN1KMT2AROCK2ROCK1
SCHEMBL8004576 0.82 PDE4B (0.45) EDNRAMEN1KMT2AROCK2ROCK1
SCHEMBL8005152 0.82 PDE4B (0.45) EDNRAMEN1KMT2AROCK2ROCK1
SCHEMBL7995664 0.75 PDE4B (0.41) MEN1KMT2AROCK2ROCK1PDE4B

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-0859766-B1 CHIRAL METHYL PHENYL OXAZOLIDINONES SCHERING AG (DE) 2001-05-16 EP disclosed