SCHEMBL23400359

SCHEMBL23400359

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

nearest known ligand 0.33

Predicted protein targets (top 10)

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
▸ RGS4 P49798 1/20 0.31
▸ RGS8 P57771 1/20 0.31
▸ TP53 P04637 1/20 0.30
▸ GAA P10253 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
SCHEMBL23399123 0.91 HTT (0.33) —
SCHEMBL23399424 0.84 PDE4A (0.36) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL23401816 0.83 PDE4A (0.35) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL23402002 0.83 PDE4A (0.35) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL23400290 0.81 MEN1 (0.34) MEN1KMT2A
SCHEMBL23402008 0.80 PDE4A (0.35) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL23401953 0.80 PDE4A (0.35) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL23403305 0.80 PDE4A (0.35) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL23401051 0.79 PDE4A (0.35) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL23401783 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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