SCHEMBL23399785

SCHEMBL23399785

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

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 1/20 0.37
▸ PDE4B Q07343 1/20 0.37
▸ PDE4C Q08493 1/20 0.37
▸ PDE4D Q08499 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ RORA P35398 1/20 0.31
▸ RORC P51449 1/20 0.31
▸ RORB Q92753 1/20 0.31
▸ RGS4 P49798 1/20 0.31
▸ RGS8 P57771 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ GAA P10253 1/20 0.31

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
SCHEMBL23402706 0.89 SMN1; SMN2 (0.34) SMN1; SMN2
SCHEMBL23399437 0.88 PDE4A (0.36) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL23403436 0.88 PDE4A (0.36) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL23399674 0.87 PDE4A (0.35) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL23401614 0.82 KDM4E (0.30) —
SCHEMBL23400855 0.81 TYMP (0.33) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL23398604 0.81 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL23402298 0.79 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL23399326 0.79 SMN1; SMN2 (0.36) MEN1KMT2ATDP1L3MBTL1SMN1; SMN2
SCHEMBL23399873 0.78 MEN1 (0.31) MEN1KMT2A

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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