SCHEMBL23398604

SCHEMBL23398604

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 1/20 0.38
▸ PDE4B Q07343 1/20 0.38
▸ PDE4C Q08493 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ MEN1 O00255 4/20 0.36
▸ KMT2A Q03164 4/20 0.36
▸ TDP1 Q9NUW8 3/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ RORA P35398 1/20 0.32
▸ RORC P51449 1/20 0.32
▸ RORB Q92753 1/20 0.32
▸ RGS4 P49798 3/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ RGS8 P57771 2/20 0.32
▸ GAA P10253 3/20 0.32
▸ TP53 P04637 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.31
▸ NPC1 O15118 1/20 0.30
▸ MITF O75030 1/20 0.30
▸ ALDH1A1 P00352 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
SCHEMBL23403152 0.89 ALDH1A1 (0.34) ALDH1A1
SCHEMBL23399437 0.83 PDE4A (0.36) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL23401086 0.81 — —
SCHEMBL23399785 0.81 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL23401804 0.79 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL23403436 0.79 PDE4A (0.36) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL23399674 0.78 PDE4A (0.35) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL23402008 0.78 PDE4A (0.35) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL23399206 0.76 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL23403155 0.76 SMN1; SMN2 (0.38) MEN1KMT2ATDP1L3MBTL1SMN1; SMN2

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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