SCHEMBL23402008

SCHEMBL23402008

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

nearest known ligand 0.35

Predicted protein targets (top 18)

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 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ GAA P10253 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ TDP1 Q9NUW8 2/20 0.31
▸ RGS4 P49798 1/20 0.31
▸ ABL1 P00519 1/20 0.31
▸ RIN1 Q13671 1/20 0.31
▸ RORA P35398 2/20 0.31
▸ RORC P51449 2/20 0.31
▸ RORB Q92753 2/20 0.31
▸ PGR P06401 1/20 0.31
▸ 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
SCHEMBL23398394 0.90 ALDH1A1 (0.32) —
SCHEMBL23400359 0.80 PDE4A (0.33) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL23402557 0.80 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL23399714 0.80 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL23399424 0.79 PDE4A (0.36) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL23398604 0.78 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL23398899 0.78 SMN1; SMN2 (0.35) MEN1KMT2ASMN1; SMN2TDP1RGS4
SCHEMBL23402002 0.77 PDE4A (0.35) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL23399785 0.77 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL23399381 0.75 — —

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
Send feedback