SCHEMBL23403244

SCHEMBL23403244

CCCCn1[nH]c(C)c(CC)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 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ALDH1A1 P00352 5/20 0.33
▸ GAA P10253 3/20 0.33
▸ TDP1 Q9NUW8 3/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 4/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ FPR1 P21462 1/20 0.33
▸ KDM5A P29375 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ TP53 P04637 1/20 0.32
▸ KDM4E B2RXH2 4/20 0.32
▸ HPD P32754 1/20 0.32
▸ LMNA P02545 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
SCHEMBL23400751 0.89 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL23399156 0.89 SMN1; SMN2 (0.36) MEN1KMT2AALDH1A1GAAL3MBTL1
SCHEMBL23398883 0.87 KDM4E (0.39) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL11221065 0.84 KDM4E (0.41) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL23401448 0.83 PDE4A (0.35) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL23402298 0.81 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL23398946 0.81 NPC1 (0.38) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL23401804 0.81 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL23399878 0.80 ALDH1A1 (0.36) MEN1KMT2AALDH1A1GAAL3MBTL1
SCHEMBL23401176 0.79 PDE4A (0.37) 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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