SCHEMBL23403206

SCHEMBL23403206

CCCCn1[nH]c(C(C)(C)C)c(CC(C)C)c1=O

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ PDE4C Q08493 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ PGR P06401 1/20 0.32
▸ RORA P35398 1/20 0.32
▸ RORC P51449 1/20 0.32
▸ RORB Q92753 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ RGS4 P49798 1/20 0.31
▸ RGS8 P57771 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
SCHEMBL23400636 0.91 HTT (0.33) —
SCHEMBL23399882 0.84 PDE4A (0.36) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL23400620 0.83 PDE4A (0.35) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL23400143 0.83 KDM4E (0.37) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL23401913 0.81 SMN1; SMN2 (0.34) MEN1KMT2ATDP1L3MBTL1
SCHEMBL23399674 0.80 PDE4A (0.35) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL23401953 0.80 PDE4A (0.35) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL23401448 0.80 PDE4A (0.35) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL23399216 0.79 PDE4A (0.35) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL23401040 0.78 PDE2A (0.30) —

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-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 — — EP disclosed
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