SCHEMBL23403682

SCHEMBL23403682

CCCc1[nH]n(CC(C)C)c(=O)c1CCC

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL23401351 0.92 ALDH1A1 (0.33) MEN1ALDH1A1POLBMAPTHPGD
SCHEMBL23402360 0.92 ALDH1A1 (0.33) MEN1ALDH1A1POLBMAPTHPGD
SCHEMBL23402886 0.92 MEN1 (0.34) MEN1ALDH1A1POLBMAPTHPGD
SCHEMBL23398640 0.92 KMT2A (0.34) MEN1ALDH1A1POLBMAPTHPGD
SCHEMBL23402577 0.90 MEN1 (0.33) MEN1ALDH1A1POLBMAPTHPGD
SCHEMBL23401951 0.90 MEN1 (0.33) MEN1ALDH1A1POLBMAPTHPGD
SCHEMBL23400921 0.87 ALDH1A1 (0.33) MEN1ALDH1A1POLBMAPTHPGD
SCHEMBL23400815 0.83 MEN1 (0.35) MEN1ALDH1A1POLBMAPTHPGD
SCHEMBL23400936 0.83 MEN1 (0.35) MEN1ALDH1A1POLBMAPTHPGD
SCHEMBL23401782 0.83 KDM4E (0.38) MEN1ALDH1A1POLBMAPTHPGD

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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