SCHEMBL23399211

SCHEMBL23399211

CCCc1c(CC(C)C)[nH]n(CCC)c1=O

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.30
▸ KDM4E B2RXH2 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
SCHEMBL23401658 0.91 KDM4E (0.32) HTTALDH1A1KDM4E
SCHEMBL23402818 0.91 PDE4A (0.34) —
SCHEMBL23399548 0.90 HTT (0.35) HTTALDH1A1
SCHEMBL23403315 0.89 — —
SCHEMBL23398389 0.89 HTT (0.34) HTTALDH1A1
SCHEMBL23398505 0.87 HTT (0.36) HTTALDH1A1KDM4E
SCHEMBL23401951 0.87 MEN1 (0.33) HTTALDH1A1
SCHEMBL23398984 0.84 PDE4A (0.34) ALDH1A1KDM4E
SCHEMBL23402934 0.83 HTT (0.32) HTT
SCHEMBL23403629 0.83 ALDH1A1 (0.33) ALDH1A1KDM4E

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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