SCHEMBL23398883

SCHEMBL23398883

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

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.39
▸ 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 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ RAB9A P51151 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ GAA P10253 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ DCTPP1 Q9H773 2/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ TYMP P19971 1/20 0.32
▸ TP53 P04637 1/20 0.32

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 0.95 PDE4A (0.38) KDM4EPDE4APDE4BPDE4CPDE4D
SCHEMBL11221065 0.89 KDM4E (0.41) KDM4EPDE4APDE4BPDE4CPDE4D
SCHEMBL23400100 0.89 KDM4E (0.40) KDM4EMEN1KMT2AGAAALDH1A1
SCHEMBL23398946 0.87 NPC1 (0.38) KDM4EPDE4APDE4BPDE4CPDE4D
SCHEMBL23403244 0.87 PDE4A (0.38) KDM4EPDE4APDE4BPDE4CPDE4D
SCHEMBL10878921 0.83 KDM4E (0.41) KDM4EMEN1KMT2ARAB9ANPC1
SCHEMBL23401751 0.82 PDE4A (0.38) KDM4EPDE4APDE4BPDE4CPDE4D
SCHEMBL23402619 0.81 NPC1 (0.38) KDM4EMEN1KMT2ARAB9ANPC1
SCHEMBL23401448 0.81 PDE4A (0.35) KDM4EPDE4APDE4BPDE4CPDE4D
SCHEMBL23398726 0.81 PDE4A (0.37) KDM4EPDE4APDE4BPDE4CPDE4D

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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