SCHEMBL23401402

SCHEMBL23401402

CCc1[nH]n(CC(C)C)c(=O)c1C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ PDE2A O00408 1/20 0.31
▸ PDE1A P54750 1/20 0.31
▸ PDE1B Q01064 1/20 0.31
▸ PDE1C Q14123 1/20 0.31

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
SCHEMBL23402312 0.87 MEN1 (0.33) MEN1ALDH1A1POLBMAPTHPGD
SCHEMBL23400290 0.87 MEN1 (0.34) MEN1ALDH1A1POLBMAPTHPGD
SCHEMBL23400909 0.84 MEN1 (0.32) MEN1ALDH1A1POLBMAPTHPGD
SCHEMBL23398781 0.82 — —
SCHEMBL23399860 0.79 SMN1; SMN2 (0.35) MEN1ALDH1A1POLBMAPTHPGD
SCHEMBL23399890 0.79 ALDH1A1 (0.33) ALDH1A1
SCHEMBL23399708 0.79 SMN1; SMN2 (0.35) MEN1ALDH1A1POLBMAPTHPGD
SCHEMBL23398899 0.79 SMN1; SMN2 (0.35) MEN1ALDH1A1POLBMAPTHPGD
SCHEMBL23401687 0.77 SMN1; SMN2 (0.36) MEN1ALDH1A1POLBMAPTHPGD
SCHEMBL23399380 0.77 SMN1; SMN2 (0.36) 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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