SCHEMBL23401751

SCHEMBL23401751

CCCCn1[nH]c(CCC)c(CCC)c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 5/20 0.38
▸ PDE4B Q07343 5/20 0.38
▸ PDE4C Q08493 5/20 0.38
▸ PDE4D Q08499 5/20 0.38
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TDP1 Q9NUW8 3/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ADORA2A P29274 4/20 0.32
▸ ADORA2B P29275 2/20 0.32
▸ ADORA3 P0DMS8 1/20 0.32
▸ GAA P10253 3/20 0.32
▸ TP53 P04637 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ ABL1 P00519 2/20 0.30
▸ RIN1 Q13671 2/20 0.30
▸ RGS4 P49798 2/20 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
SCHEMBL23398726 0.95 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL23400141 0.95 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL23399386 0.91 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL23400767 0.91 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL23401052 0.89 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL23401698 0.88 ALDH1A1 (0.32) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL23402174 0.88 TYMP (0.34) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL23400826 0.85 PDE4A (0.34) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL23402818 0.85 PDE4A (0.34) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL23401176 0.84 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DMEN1

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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