SCHEMBL23401951

SCHEMBL23401951

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

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL23403181 0.91 KDM4E (0.32) MEN1ALDH1A1POLBMAPTHPGD
SCHEMBL23403682 0.90 MEN1 (0.35) MEN1ALDH1A1POLBMAPTHPGD
SCHEMBL23402886 0.89 MEN1 (0.34) MEN1ALDH1A1POLBMAPTHPGD
SCHEMBL23403315 0.89 — —
SCHEMBL23399211 0.87 HTT (0.36) ALDH1A1HTT
SCHEMBL23402577 0.87 MEN1 (0.33) MEN1ALDH1A1POLBMAPTHPGD
SCHEMBL23399072 0.87 ALDH1A1 (0.35) MEN1ALDH1A1POLBMAPTHPGD
SCHEMBL23402316 0.86 SMN1; SMN2 (0.36) MEN1ALDH1A1POLBMAPTHPGD
SCHEMBL23401351 0.86 ALDH1A1 (0.33) MEN1ALDH1A1POLBMAPTHPGD
SCHEMBL23402818 0.84 PDE4A (0.34) MEN1KMT2A

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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