SCHEMBL23402606

SCHEMBL23402606

CC(C)c1[nH]n(C(C)(C)C)c(=O)c1C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ GAA P10253 3/20 0.32
▸ CYP2C9 P11712 2/20 0.32
▸ CYP2C19 P33261 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CYP3A4 P08684 1/20 0.30
▸ RECQL P46063 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
SCHEMBL23401440 0.78 GAA (0.39) LMNAMAPTHTTSMN1; SMN2GAA
SCHEMBL23399381 0.78 — —
SCHEMBL23402402 0.77 — —
SCHEMBL23398899 0.74 SMN1; SMN2 (0.35) MAPTHTTSMN1; SMN2ALDH1A1MEN1
SCHEMBL23402960 0.74 LMNA (0.31) LMNAMAPTHTTSMN1; SMN2GAA
SCHEMBL23401788 0.74 GAA (0.34) LMNAMAPTHTTSMN1; SMN2GAA
SCHEMBL23398394 0.73 ALDH1A1 (0.32) ALDH1A1
SCHEMBL23403573 0.73 LMNA (0.31) LMNAMAPTHTTSMN1; SMN2
SCHEMBL23398447 0.73 LMNA (0.31) LMNAMAPTHTTSMN1; SMN2
SCHEMBL23401979 0.72 LMNA (0.30) LMNAMAPTHTTSMN1; SMN2

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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