SCHEMBL23402783

SCHEMBL23402783

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

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ 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
SCHEMBL23399157 0.85 GAA (0.30) GAACYP2C9CYP2C19ALDH1A1MEN1
SCHEMBL23399247 0.82 KDM4E (0.32) —
SCHEMBL23398447 0.80 LMNA (0.31) —
SCHEMBL23398857 0.78 MEN1 (0.31) MEN1KMT2A
SCHEMBL23401467 0.78 GAA (0.33) GAACYP2C9CYP2C19ALDH1A1MEN1
SCHEMBL23401810 0.78 GAA (0.36) GAACYP2C9CYP2C19ALDH1A1MEN1
SCHEMBL23398781 0.77 — —
SCHEMBL23402123 0.74 KDM4E (0.31) GAACYP2C9CYP2C19ALDH1A1MEN1
SCHEMBL23398711 0.74 — —
SCHEMBL23401788 0.74 GAA (0.34) GAACYP2C9CYP2C19ALDH1A1MEN1

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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