Sugi Predict

Sugi Predict / Compounds / SCHEMBL8007232

SCHEMBL8007232

SCHEMBL8007232

COc1ccc([C@@]2(C)CN(C(=O)N[C@H](C)c3cccc4ccccc34)C(=O)O2)cc1OC1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 14/20 0.41
▸ PDE4A P27815 13/20 0.41
▸ PDE4C Q08493 13/20 0.41
▸ PDE4D Q08499 13/20 0.41
▸ METAP2 P50579 1/20 0.39
▸ METAP1 P53582 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ROCK2 O75116 1/20 0.39
▸ ROCK1 Q13464 1/20 0.39

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
SCHEMBL7995664 1.00 PDE4B (0.41) PDE4BPDE4APDE4CPDE4DMETAP2
SCHEMBL7767275 0.88 PDE4A (0.40) PDE4BPDE4APDE4CPDE4DMETAP2
SCHEMBL7763963 0.88 PDE4A (0.40) PDE4BPDE4APDE4CPDE4DMETAP2
SCHEMBL7995956 0.88 MEN1 (0.41) PDE4BPDE4APDE4CPDE4DMEN1
SCHEMBL7995948 0.88 MEN1 (0.41) PDE4BPDE4APDE4CPDE4DMEN1
SCHEMBL8004576 0.85 PDE4B (0.45) PDE4BPDE4DMEN1KMT2AROCK2
SCHEMBL8005152 0.85 PDE4B (0.45) PDE4BPDE4DMEN1KMT2AROCK2
SCHEMBL7765376 0.75 EDNRA (0.41) PDE4BPDE4APDE4CPDE4DMEN1
SCHEMBL7763145 0.75 EDNRA (0.41) PDE4BPDE4APDE4CPDE4DMEN1
SCHEMBL8647118 0.74 PDE4A (0.45) PDE4BPDE4APDE4CPDE4D

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