SCHEMBL23401698

SCHEMBL23401698

CCCCc1[nH]n(CCC)c(=O)c1CCC

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.32
▸ PDE4A P27815 1/20 0.31
▸ PDE4B Q07343 1/20 0.31
▸ PDE4C Q08493 1/20 0.31
▸ PDE4D Q08499 1/20 0.31
▸ KDM4E B2RXH2 4/20 0.31
▸ TYMP P19971 1/20 0.31
▸ LMNA P02545 2/20 0.31
▸ HPGD P15428 2/20 0.31
▸ APAF1 O14727 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ NOD2 Q9HC29 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL23402125 0.95 TYMP (0.35) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL23402174 0.93 TYMP (0.34) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL23398726 0.93 PDE4A (0.37) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL23403132 0.90 SMN1; SMN2 (0.33) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL23401052 0.88 PDE4A (0.38) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL23401751 0.88 PDE4A (0.38) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL23398959 0.88 TYMP (0.32) KDM4ETYMP
SCHEMBL23400141 0.86 PDE4A (0.37) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL23400838 0.86 TYMP (0.34) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL23403629 0.86 ALDH1A1 (0.33) ALDH1A1KDM4ETYMPMEN1KMT2A

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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