SCHEMBL23398609

SCHEMBL23398609

CCCc1[nH]n(C(C)(C)C)c(=O)c1CC

nearest known ligand 0.30

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL23402696 0.91 KDM4E (0.31) GAAALDH1A1CYP2C9CYP2C19MEN1
SCHEMBL23399954 0.90 KDM4E (0.32) —
SCHEMBL23401467 0.87 GAA (0.33) GAAALDH1A1CYP2C9CYP2C19MEN1
SCHEMBL23399431 0.86 TYMP (0.33) GAAALDH1A1CYP2C9CYP2C19MEN1
SCHEMBL23402123 0.86 KDM4E (0.31) GAAALDH1A1CYP2C9CYP2C19MEN1
SCHEMBL23401484 0.83 — —
SCHEMBL23401191 0.83 KDM4E (0.32) —
SCHEMBL23400137 0.81 TYMP (0.34) GAAALDH1A1CYP2C9CYP2C19MEN1
SCHEMBL23400083 0.80 GAA (0.34) GAAALDH1A1CYP2C9CYP2C19MEN1
SCHEMBL23399279 0.79 LMNA (0.30) —

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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