SCHEMBL23403305

SCHEMBL23403305

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

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 1/20 0.35
▸ PDE4B Q07343 1/20 0.35
▸ PDE4C Q08493 1/20 0.35
▸ PDE4D Q08499 1/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ RGS4 P49798 1/20 0.33
▸ RGS8 P57771 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL23401409 0.90 HTT (0.35) —
SCHEMBL23398984 0.84 PDE4A (0.34) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL23401953 0.84 PDE4A (0.35) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL23399206 0.83 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL23399300 0.83 — —
SCHEMBL23401051 0.83 PDE4A (0.35) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL23403478 0.81 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL23402243 0.81 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL23402818 0.81 PDE4A (0.34) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL23400088 0.80 SMN1; SMN2 (0.36) MEN1KMT2ASMN1; SMN2TDP1L3MBTL1

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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