SCHEMBL23402460

SCHEMBL23402460

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

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ PDE4C Q08493 1/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ RGS4 P49798 1/20 0.31
▸ RGS8 P57771 1/20 0.31
▸ GRM5 P41594 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ HPGD P15428 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
SCHEMBL23400826 0.94 PDE4A (0.34) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL23401381 0.94 HTT (0.32) GRM5
SCHEMBL23401953 0.91 PDE4A (0.35) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL23399216 0.89 PDE4A (0.35) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL23401459 0.88 MEN1 (0.32) MEN1KMT2ARGS4RGS8GRM5
SCHEMBL23398984 0.88 PDE4A (0.34) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL23401052 0.85 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL23402818 0.85 PDE4A (0.34) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL23398505 0.84 HTT (0.36) KDM4EALDH1A1
SCHEMBL23403381 0.84 GRM5 (0.31) GRM5

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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