SCHEMBL23399882

SCHEMBL23399882

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 4/20 0.36
▸ PDE4B Q07343 4/20 0.36
▸ PDE4C Q08493 4/20 0.36
▸ PDE4D Q08499 4/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TDP1 Q9NUW8 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ PGR P06401 2/20 0.34
▸ RORA P35398 2/20 0.34
▸ RORC P51449 2/20 0.34
▸ RORB Q92753 2/20 0.34
▸ GAA P10253 2/20 0.32
▸ RGS4 P49798 1/20 0.32
▸ ABL1 P00519 1/20 0.32
▸ RIN1 Q13671 1/20 0.32
▸ ADORA2A P29274 3/20 0.31
▸ CNR2 P34972 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ ADORA2B P29275 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
SCHEMBL23401582 0.90 SMN1; SMN2 (0.33) —
SCHEMBL23400143 0.89 KDM4E (0.37) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL23400620 0.89 PDE4A (0.35) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL23403206 0.84 PDE4A (0.33) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL23400402 0.82 CYP1A2 (0.30) —
SCHEMBL23402192 0.82 KDM4E (0.34) PDE4APDE4BPDE4CPDE4DTDP1
SCHEMBL23402557 0.81 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL23398441 0.81 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL23401372 0.78 ALDH1A1 (0.32) MEN1KMT2A
SCHEMBL23402298 0.77 PDE4A (0.38) 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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