SCHEMBL23399216

SCHEMBL23399216

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

nearest known ligand 0.35

Predicted protein targets (top 9)

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 0.33
▸ KMT2A Q03164 2/20 0.33
▸ RGS4 P49798 1/20 0.32
▸ RGS8 P57771 1/20 0.32
▸ KDM4E B2RXH2 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
SCHEMBL23401953 0.92 PDE4A (0.35) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL23403494 0.90 HTT (0.34) —
SCHEMBL23402460 0.89 PDE4A (0.34) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL23400826 0.89 PDE4A (0.34) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL23401051 0.88 PDE4A (0.35) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL23402298 0.85 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL23401381 0.83 HTT (0.32) —
SCHEMBL23402818 0.83 PDE4A (0.34) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL23400165 0.82 MEN1 (0.35) MEN1KMT2A
SCHEMBL23399548 0.82 HTT (0.35) —

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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