SCHEMBL8004576

SCHEMBL8004576

CCCOc1cc([C@@]2(C)CN(C(=O)N[C@H](C)c3cccc4ccccc34)C(=O)O2)ccc1OC

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.45
PDE4D Q08499 2/20 0.45
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
EDNRA P25101 1/20 0.38
GPR139 Q6DWJ6 3/20 0.36
LIPG Q9Y5X9 2/20 0.36
CNR2 P34972 3/20 0.35
CNR1 P21554 1/20 0.35
C5 P01031 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
SCHEMBL8005152 1.00 PDE4B (0.45) PDE4BPDE4DMEN1KMT2AROCK2
SCHEMBL7995956 0.94 MEN1 (0.41) PDE4BPDE4DMEN1KMT2AROCK2
SCHEMBL7995948 0.94 MEN1 (0.41) PDE4BPDE4DMEN1KMT2AROCK2
SCHEMBL7764572 0.88 PDE4B (0.43) PDE4BPDE4DMEN1KMT2AROCK2
SCHEMBL7760417 0.88 PDE4B (0.43) PDE4BPDE4DMEN1KMT2AROCK2
SCHEMBL8007232 0.85 PDE4B (0.41) PDE4BPDE4DMEN1KMT2AROCK2
SCHEMBL7995664 0.85 PDE4B (0.41) PDE4BPDE4DMEN1KMT2AROCK2
SCHEMBL7765376 0.82 EDNRA (0.41) PDE4BPDE4DMEN1KMT2AROCK2
SCHEMBL7763145 0.82 EDNRA (0.41) PDE4BPDE4DMEN1KMT2AROCK2
SCHEMBL7763963 0.74 PDE4A (0.40) PDE4BPDE4DMEN1KMT2AEDNRA

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
US-6025376-A INHIBITORS OF TUMOR NECROSIS FACTOR, TREATING MULTIPLE SCLEROSIS SCHERING AKTIENGESELLSCHAFT (DE) 2000-02-15 US disclosed