SCHEMBL23401176

SCHEMBL23401176

CCCCc1[nH]n(CCCC)c(=O)c1CC

nearest known ligand 0.37

Predicted protein targets (top 15)

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
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ TYMP P19971 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
SCHEMBL23403132 0.93 SMN1; SMN2 (0.33) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL23400767 0.93 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL23401052 0.91 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL23398726 0.90 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL23402298 0.89 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL23403575 0.88 TYMP (0.32) KDM4ETYMP
SCHEMBL23402867 0.86 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL23400141 0.86 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL23401751 0.84 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL23402125 0.84 TYMP (0.35) 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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